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/aptamer_test1-ef83ea93/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/aptamer_test1-ef83ea93/inputs/seq.fa: 1
curr_seq: _CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG
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 33 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: 170
n_atoms_counter: 170
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 33.000000 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/aptamer_test1-ef83ea93/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/aptamer_test1-ef83ea93/inputs/seq.fa: 1
curr_seq: _CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG
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 33 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: 170
n_atoms_counter: 170
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 33.000000 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/aptamer_test1-ef83ea93/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/aptamer_test1-ef83ea93/inputs/seq.fa: 1
curr_seq: _CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG
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 33 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: 170
n_atoms_counter: 170
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 33.000000 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/aptamer_test1-ef83ea93/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/aptamer_test1-ef83ea93/inputs/seq.fa: 1
curr_seq: _CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG
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 33 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: 170
n_atoms_counter: 170
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 33.000000 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/aptamer_test1-ef83ea93/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/aptamer_test1-ef83ea93/inputs/seq.fa: 1
curr_seq: _CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG
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 33 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: 170
n_atoms_counter: 170
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 33.000000 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/aptamer_test1-ef83ea93/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/aptamer_test1-ef83ea93/inputs/seq.fa: 1
curr_seq: _CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG
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 33 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: 170
n_atoms_counter: 170
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 33.000000 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/aptamer_test1-ef83ea93/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/aptamer_test1-ef83ea93/inputs/seq.fa: 1
curr_seq: _CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG
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 33 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: 170
n_atoms_counter: 170
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 33.000000 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/aptamer_test1-ef83ea93/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/aptamer_test1-ef83ea93/inputs/seq.fa: 1
curr_seq: _CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG
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 33 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: 170
n_atoms_counter: 170
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 33.000000 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/aptamer_test1-ef83ea93/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/aptamer_test1-ef83ea93/inputs/seq.fa: 1
curr_seq: _CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG
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 33 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: 170
n_atoms_counter: 170
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 33.000000 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/aptamer_test1-ef83ea93/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/aptamer_test1-ef83ea93/inputs/seq.fa: 1
curr_seq: _CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG
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 33 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: 170
n_atoms_counter: 170
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 33.000000 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: -124.526730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.526730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.526730 (E_RNA)
where:
Base-Base interactions energy: -2.036
where: short stacking energy: -2.036
Base-Backbone interact. energy: -0.000
local terms energy: -122.490911
where:
bonds (distance) C4'-P energy: -32.062
bonds (distance) P-C4' energy: -30.418
flat angles C4'-P-C4' energy: -24.229
flat angles P-C4'-P energy: -27.716
tors. eta vs tors. theta energy: -8.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -124.526730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.526730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.526730 (E_RNA)
where:
Base-Base interactions energy: -2.036
where: short stacking energy: -2.036
Base-Backbone interact. energy: -0.000
local terms energy: -122.490911
where:
bonds (distance) C4'-P energy: -32.062
bonds (distance) P-C4' energy: -30.418
flat angles C4'-P-C4' energy: -24.229
flat angles P-C4'-P energy: -27.716
tors. eta vs tors. theta energy: -8.065
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: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -124.526730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.526730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.526730 (E_RNA)
where:
Base-Base interactions energy: -2.036
where: short stacking energy: -2.036
Base-Backbone interact. energy: -0.000
local terms energy: -122.490911
where:
bonds (distance) C4'-P energy: -32.062
bonds (distance) P-C4' energy: -30.418
flat angles C4'-P-C4' energy: -24.229
flat angles P-C4'-P energy: -27.716
tors. eta vs tors. theta energy: -8.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -124.526730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.526730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.526730 (E_RNA)
where:
Base-Base interactions energy: -2.036
where: short stacking energy: -2.036
Base-Backbone interact. energy: -0.000
local terms energy: -122.490911
where:
bonds (distance) C4'-P energy: -32.062
bonds (distance) P-C4' energy: -30.418
flat angles C4'-P-C4' energy: -24.229
flat angles P-C4'-P energy: -27.716
tors. eta vs tors. theta energy: -8.065
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: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -124.526730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.526730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.526730 (E_RNA)
where:
Base-Base interactions energy: -2.036
where: short stacking energy: -2.036
Base-Backbone interact. energy: -0.000
local terms energy: -122.490911
where:
bonds (distance) C4'-P energy: -32.062
bonds (distance) P-C4' energy: -30.418
flat angles C4'-P-C4' energy: -24.229
flat angles P-C4'-P energy: -27.716
tors. eta vs tors. theta energy: -8.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -124.526730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.526730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.526730 (E_RNA)
where:
Base-Base interactions energy: -2.036
where: short stacking energy: -2.036
Base-Backbone interact. energy: -0.000
local terms energy: -122.490911
where:
bonds (distance) C4'-P energy: -32.062
bonds (distance) P-C4' energy: -30.418
flat angles C4'-P-C4' energy: -24.229
flat angles P-C4'-P energy: -27.716
tors. eta vs tors. theta energy: -8.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -124.526730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.526730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.526730 (E_RNA)
where:
Base-Base interactions energy: -2.036
where: short stacking energy: -2.036
Base-Backbone interact. energy: -0.000
local terms energy: -122.490911
where:
bonds (distance) C4'-P energy: -32.062
bonds (distance) P-C4' energy: -30.418
flat angles C4'-P-C4' energy: -24.229
flat angles P-C4'-P energy: -27.716
tors. eta vs tors. theta energy: -8.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -124.526730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.526730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.526730 (E_RNA)
where:
Base-Base interactions energy: -2.036
where: short stacking energy: -2.036
Base-Backbone interact. energy: -0.000
local terms energy: -122.490911
where:
bonds (distance) C4'-P energy: -32.062
bonds (distance) P-C4' energy: -30.418
flat angles C4'-P-C4' energy: -24.229
flat angles P-C4'-P energy: -27.716
tors. eta vs tors. theta energy: -8.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -124.526730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.526730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.526730 (E_RNA)
where:
Base-Base interactions energy: -2.036
where: short stacking energy: -2.036
Base-Backbone interact. energy: -0.000
local terms energy: -122.490911
where:
bonds (distance) C4'-P energy: -32.062
bonds (distance) P-C4' energy: -30.418
flat angles C4'-P-C4' energy: -24.229
flat angles P-C4'-P energy: -27.716
tors. eta vs tors. theta energy: -8.065
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: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -124.526730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.526730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.526730 (E_RNA)
where:
Base-Base interactions energy: -2.036
where: short stacking energy: -2.036
Base-Backbone interact. energy: -0.000
local terms energy: -122.490911
where:
bonds (distance) C4'-P energy: -32.062
bonds (distance) P-C4' energy: -30.418
flat angles C4'-P-C4' energy: -24.229
flat angles P-C4'-P energy: -27.716
tors. eta vs tors. theta energy: -8.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -193.494577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.494577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.494577 (E_RNA)
where:
Base-Base interactions energy: -91.717
where: short stacking energy: -62.207
Base-Backbone interact. energy: -0.524
local terms energy: -101.253170
where:
bonds (distance) C4'-P energy: -26.130
bonds (distance) P-C4' energy: -24.229
flat angles C4'-P-C4' energy: -20.761
flat angles P-C4'-P energy: -19.300
tors. eta vs tors. theta energy: -10.833
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: 2
Temperature: 0.950000
Total energy: -175.253806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.253806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.253806 (E_RNA)
where:
Base-Base interactions energy: -86.465
where: short stacking energy: -62.875
Base-Backbone interact. energy: -0.238
local terms energy: -88.550965
where:
bonds (distance) C4'-P energy: -18.915
bonds (distance) P-C4' energy: -26.224
flat angles C4'-P-C4' energy: -24.492
flat angles P-C4'-P energy: -16.205
tors. eta vs tors. theta energy: -2.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -178.238913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.238913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.238913 (E_RNA)
where:
Base-Base interactions energy: -77.075
where: short stacking energy: -59.587
Base-Backbone interact. energy: -0.145
local terms energy: -101.018248
where:
bonds (distance) C4'-P energy: -21.751
bonds (distance) P-C4' energy: -22.328
flat angles C4'-P-C4' energy: -25.029
flat angles P-C4'-P energy: -18.016
tors. eta vs tors. theta energy: -13.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -174.783792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.783792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.783792 (E_RNA)
where:
Base-Base interactions energy: -86.604
where: short stacking energy: -52.619
Base-Backbone interact. energy: -0.436
local terms energy: -87.743297
where:
bonds (distance) C4'-P energy: -19.603
bonds (distance) P-C4' energy: -18.508
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -16.512
tors. eta vs tors. theta energy: -17.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -187.422245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.422245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.422245 (E_RNA)
where:
Base-Base interactions energy: -90.987
where: short stacking energy: -56.693
Base-Backbone interact. energy: -0.219
local terms energy: -96.216695
where:
bonds (distance) C4'-P energy: -22.632
bonds (distance) P-C4' energy: -20.664
flat angles C4'-P-C4' energy: -25.281
flat angles P-C4'-P energy: -16.662
tors. eta vs tors. theta energy: -10.978
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: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -145.009827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.009827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.009827 (E_RNA)
where:
Base-Base interactions energy: -50.605
where: short stacking energy: -50.605
Base-Backbone interact. energy: -0.322
local terms energy: -94.082848
where:
bonds (distance) C4'-P energy: -23.278
bonds (distance) P-C4' energy: -21.950
flat angles C4'-P-C4' energy: -21.007
flat angles P-C4'-P energy: -14.397
tors. eta vs tors. theta energy: -13.449
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: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -183.657571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.657571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.657571 (E_RNA)
where:
Base-Base interactions energy: -117.771
where: short stacking energy: -52.883
Base-Backbone interact. energy: -0.085
local terms energy: -65.801876
where:
bonds (distance) C4'-P energy: -22.000
bonds (distance) P-C4' energy: -12.529
flat angles C4'-P-C4' energy: -18.935
flat angles P-C4'-P energy: -3.364
tors. eta vs tors. theta energy: -8.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -124.884558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.884558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.884558 (E_RNA)
where:
Base-Base interactions energy: -59.472
where: short stacking energy: -31.950
Base-Backbone interact. energy: -0.113
local terms energy: -65.299334
where:
bonds (distance) C4'-P energy: -20.207
bonds (distance) P-C4' energy: -20.364
flat angles C4'-P-C4' energy: -14.672
flat angles P-C4'-P energy: -8.145
tors. eta vs tors. theta energy: -1.911
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: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -124.712020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.712020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.712020 (E_RNA)
where:
Base-Base interactions energy: -45.515
where: short stacking energy: -36.178
Base-Backbone interact. energy: 1.090
local terms energy: -80.287553
where:
bonds (distance) C4'-P energy: -22.917
bonds (distance) P-C4' energy: -18.759
flat angles C4'-P-C4' energy: -20.814
flat angles P-C4'-P energy: -11.468
tors. eta vs tors. theta energy: -6.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -123.949768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.949768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.949768 (E_RNA)
where:
Base-Base interactions energy: -2.036
where: short stacking energy: -2.036
Base-Backbone interact. energy: -0.000
local terms energy: -121.913947
where:
bonds (distance) C4'-P energy: -31.946
bonds (distance) P-C4' energy: -30.411
flat angles C4'-P-C4' energy: -23.644
flat angles P-C4'-P energy: -27.679
tors. eta vs tors. theta energy: -8.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -213.953605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.953605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.953605 (E_RNA)
where:
Base-Base interactions energy: -113.884
where: short stacking energy: -72.370
Base-Backbone interact. energy: 6.435
local terms energy: -106.505143
where:
bonds (distance) C4'-P energy: -24.631
bonds (distance) P-C4' energy: -26.669
flat angles C4'-P-C4' energy: -21.683
flat angles P-C4'-P energy: -19.046
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: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -199.105539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.105539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.105539 (E_RNA)
where:
Base-Base interactions energy: -103.195
where: short stacking energy: -74.775
Base-Backbone interact. energy: -0.271
local terms energy: -95.639828
where:
bonds (distance) C4'-P energy: -19.911
bonds (distance) P-C4' energy: -23.800
flat angles C4'-P-C4' energy: -21.104
flat angles P-C4'-P energy: -13.108
tors. eta vs tors. theta energy: -17.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -172.017361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.017361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.017361 (E_RNA)
where:
Base-Base interactions energy: -79.935
where: short stacking energy: -67.237
Base-Backbone interact. energy: -0.132
local terms energy: -91.950816
where:
bonds (distance) C4'-P energy: -19.079
bonds (distance) P-C4' energy: -22.317
flat angles C4'-P-C4' energy: -21.768
flat angles P-C4'-P energy: -12.452
tors. eta vs tors. theta energy: -16.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -206.218668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.218668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.218668 (E_RNA)
where:
Base-Base interactions energy: -113.730
where: short stacking energy: -75.954
Base-Backbone interact. energy: -0.091
local terms energy: -92.397798
where:
bonds (distance) C4'-P energy: -17.519
bonds (distance) P-C4' energy: -23.954
flat angles C4'-P-C4' energy: -23.746
flat angles P-C4'-P energy: -9.212
tors. eta vs tors. theta energy: -17.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -237.869784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.869784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.869784 (E_RNA)
where:
Base-Base interactions energy: -137.529
where: short stacking energy: -74.043
Base-Backbone interact. energy: -0.862
local terms energy: -99.479241
where:
bonds (distance) C4'-P energy: -22.946
bonds (distance) P-C4' energy: -22.453
flat angles C4'-P-C4' energy: -20.252
flat angles P-C4'-P energy: -17.581
tors. eta vs tors. theta energy: -16.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -206.910848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.910848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.910848 (E_RNA)
where:
Base-Base interactions energy: -117.322
where: short stacking energy: -70.333
Base-Backbone interact. energy: -0.683
local terms energy: -88.905598
where:
bonds (distance) C4'-P energy: -18.555
bonds (distance) P-C4' energy: -22.418
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -13.633
tors. eta vs tors. theta energy: -20.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -139.822165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.822165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.822165 (E_RNA)
where:
Base-Base interactions energy: -56.849
where: short stacking energy: -55.807
Base-Backbone interact. energy: -0.336
local terms energy: -82.637095
where:
bonds (distance) C4'-P energy: -21.319
bonds (distance) P-C4' energy: -18.892
flat angles C4'-P-C4' energy: -21.828
flat angles P-C4'-P energy: -11.156
tors. eta vs tors. theta energy: -9.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -132.514923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.514923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.514923 (E_RNA)
where:
Base-Base interactions energy: -62.504
where: short stacking energy: -58.839
Base-Backbone interact. energy: 0.398
local terms energy: -70.409780
where:
bonds (distance) C4'-P energy: -23.708
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -16.253
flat angles P-C4'-P energy: -11.690
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: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -115.739098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.739098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.739098 (E_RNA)
where:
Base-Base interactions energy: -46.953
where: short stacking energy: -40.137
Base-Backbone interact. energy: 0.260
local terms energy: -69.045512
where:
bonds (distance) C4'-P energy: -19.974
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -21.950
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -1.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -98.363033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.363033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.363033 (E_RNA)
where:
Base-Base interactions energy: -28.276
where: short stacking energy: -23.552
Base-Backbone interact. energy: -0.153
local terms energy: -69.934360
where:
bonds (distance) C4'-P energy: -17.106
bonds (distance) P-C4' energy: -23.790
flat angles C4'-P-C4' energy: -18.925
flat angles P-C4'-P energy: -12.953
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: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -210.872290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.872290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.872290 (E_RNA)
where:
Base-Base interactions energy: -106.176
where: short stacking energy: -69.825
Base-Backbone interact. energy: -0.048
local terms energy: -104.647899
where:
bonds (distance) C4'-P energy: -21.552
bonds (distance) P-C4' energy: -23.582
flat angles C4'-P-C4' energy: -24.767
flat angles P-C4'-P energy: -15.944
tors. eta vs tors. theta energy: -18.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -207.445714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.445714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.445714 (E_RNA)
where:
Base-Base interactions energy: -109.854
where: short stacking energy: -76.485
Base-Backbone interact. energy: 1.604
local terms energy: -99.196061
where:
bonds (distance) C4'-P energy: -22.707
bonds (distance) P-C4' energy: -20.842
flat angles C4'-P-C4' energy: -20.729
flat angles P-C4'-P energy: -16.361
tors. eta vs tors. theta energy: -18.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -209.628925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.628925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.628925 (E_RNA)
where:
Base-Base interactions energy: -117.690
where: short stacking energy: -64.210
Base-Backbone interact. energy: -0.267
local terms energy: -91.671255
where:
bonds (distance) C4'-P energy: -21.021
bonds (distance) P-C4' energy: -23.288
flat angles C4'-P-C4' energy: -24.239
flat angles P-C4'-P energy: -13.737
tors. eta vs tors. theta energy: -9.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -188.259265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.259265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.259265 (E_RNA)
where:
Base-Base interactions energy: -98.404
where: short stacking energy: -55.519
Base-Backbone interact. energy: 0.420
local terms energy: -90.275062
where:
bonds (distance) C4'-P energy: -25.161
bonds (distance) P-C4' energy: -19.785
flat angles C4'-P-C4' energy: -22.081
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -11.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -228.695855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.695855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.695855 (E_RNA)
where:
Base-Base interactions energy: -138.728
where: short stacking energy: -74.686
Base-Backbone interact. energy: -0.192
local terms energy: -89.775796
where:
bonds (distance) C4'-P energy: -22.368
bonds (distance) P-C4' energy: -18.741
flat angles C4'-P-C4' energy: -19.334
flat angles P-C4'-P energy: -15.550
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: 6, replica: 7
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -205.090967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.090967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.090967 (E_RNA)
where:
Base-Base interactions energy: -115.048
where: short stacking energy: -68.546
Base-Backbone interact. energy: -0.075
local terms energy: -89.967602
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -19.657
flat angles C4'-P-C4' energy: -21.285
flat angles P-C4'-P energy: -15.035
tors. eta vs tors. theta energy: -16.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -139.248965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.248965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.248965 (E_RNA)
where:
Base-Base interactions energy: -51.107
where: short stacking energy: -47.326
Base-Backbone interact. energy: -0.722
local terms energy: -87.419917
where:
bonds (distance) C4'-P energy: -21.512
bonds (distance) P-C4' energy: -21.703
flat angles C4'-P-C4' energy: -20.525
flat angles P-C4'-P energy: -14.679
tors. eta vs tors. theta energy: -9.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -150.280906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.280906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.280906 (E_RNA)
where:
Base-Base interactions energy: -61.859
where: short stacking energy: -53.766
Base-Backbone interact. energy: -0.151
local terms energy: -88.270654
where:
bonds (distance) C4'-P energy: -18.958
bonds (distance) P-C4' energy: -22.580
flat angles C4'-P-C4' energy: -22.118
flat angles P-C4'-P energy: -12.437
tors. eta vs tors. theta energy: -12.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -117.102757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.102757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.102757 (E_RNA)
where:
Base-Base interactions energy: -52.035
where: short stacking energy: -36.320
Base-Backbone interact. energy: -0.679
local terms energy: -64.389027
where:
bonds (distance) C4'-P energy: -19.450
bonds (distance) P-C4' energy: -20.179
flat angles C4'-P-C4' energy: -20.193
flat angles P-C4'-P energy: -5.890
tors. eta vs tors. theta energy: 1.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -119.886228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.886228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.886228 (E_RNA)
where:
Base-Base interactions energy: -48.293
where: short stacking energy: -34.363
Base-Backbone interact. energy: -1.684
local terms energy: -69.908318
where:
bonds (distance) C4'-P energy: -20.773
bonds (distance) P-C4' energy: -25.943
flat angles C4'-P-C4' energy: -18.709
flat angles P-C4'-P energy: -5.846
tors. eta vs tors. theta energy: 1.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -222.184643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.184643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.184643 (E_RNA)
where:
Base-Base interactions energy: -120.889
where: short stacking energy: -63.851
Base-Backbone interact. energy: -0.316
local terms energy: -100.979435
where:
bonds (distance) C4'-P energy: -24.255
bonds (distance) P-C4' energy: -26.096
flat angles C4'-P-C4' energy: -23.179
flat angles P-C4'-P energy: -11.433
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: 2, replica: 5
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -235.135351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.135351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.135351 (E_RNA)
where:
Base-Base interactions energy: -129.948
where: short stacking energy: -82.241
Base-Backbone interact. energy: 1.348
local terms energy: -106.535387
where:
bonds (distance) C4'-P energy: -23.630
bonds (distance) P-C4' energy: -25.151
flat angles C4'-P-C4' energy: -24.461
flat angles P-C4'-P energy: -14.439
tors. eta vs tors. theta energy: -18.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -180.631656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.631656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.631656 (E_RNA)
where:
Base-Base interactions energy: -92.323
where: short stacking energy: -67.711
Base-Backbone interact. energy: -0.323
local terms energy: -87.985247
where:
bonds (distance) C4'-P energy: -18.622
bonds (distance) P-C4' energy: -22.613
flat angles C4'-P-C4' energy: -20.983
flat angles P-C4'-P energy: -12.589
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: 4, replica: 4
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -231.809463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.809463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.809463 (E_RNA)
where:
Base-Base interactions energy: -121.106
where: short stacking energy: -58.429
Base-Backbone interact. energy: -0.361
local terms energy: -110.342181
where:
bonds (distance) C4'-P energy: -24.751
bonds (distance) P-C4' energy: -26.178
flat angles C4'-P-C4' energy: -24.409
flat angles P-C4'-P energy: -13.954
tors. eta vs tors. theta energy: -21.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -221.226434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.226434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.226434 (E_RNA)
where:
Base-Base interactions energy: -142.897
where: short stacking energy: -77.975
Base-Backbone interact. energy: -0.170
local terms energy: -78.158781
where:
bonds (distance) C4'-P energy: -19.879
bonds (distance) P-C4' energy: -12.047
flat angles C4'-P-C4' energy: -18.807
flat angles P-C4'-P energy: -14.330
tors. eta vs tors. theta energy: -13.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -212.041384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.041384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.041384 (E_RNA)
where:
Base-Base interactions energy: -118.988
where: short stacking energy: -67.351
Base-Backbone interact. energy: -0.239
local terms energy: -92.814560
where:
bonds (distance) C4'-P energy: -24.060
bonds (distance) P-C4' energy: -18.766
flat angles C4'-P-C4' energy: -19.596
flat angles P-C4'-P energy: -10.887
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: 7, replica: 8
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -173.386801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.386801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.386801 (E_RNA)
where:
Base-Base interactions energy: -84.243
where: short stacking energy: -57.470
Base-Backbone interact. energy: -0.173
local terms energy: -88.971291
where:
bonds (distance) C4'-P energy: -16.911
bonds (distance) P-C4' energy: -20.631
flat angles C4'-P-C4' energy: -20.893
flat angles P-C4'-P energy: -14.595
tors. eta vs tors. theta energy: -15.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -183.790221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.790221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.790221 (E_RNA)
where:
Base-Base interactions energy: -104.654
where: short stacking energy: -50.385
Base-Backbone interact. energy: -0.060
local terms energy: -79.076213
where:
bonds (distance) C4'-P energy: -17.881
bonds (distance) P-C4' energy: -22.760
flat angles C4'-P-C4' energy: -20.846
flat angles P-C4'-P energy: -17.550
tors. eta vs tors. theta energy: -0.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -118.578456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.578456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.578456 (E_RNA)
where:
Base-Base interactions energy: -58.491
where: short stacking energy: -42.655
Base-Backbone interact. energy: -0.182
local terms energy: -59.905683
where:
bonds (distance) C4'-P energy: -16.398
bonds (distance) P-C4' energy: -19.978
flat angles C4'-P-C4' energy: -13.813
flat angles P-C4'-P energy: -6.898
tors. eta vs tors. theta energy: -2.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -102.439252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.439252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.439252 (E_RNA)
where:
Base-Base interactions energy: -39.168
where: short stacking energy: -31.699
Base-Backbone interact. energy: -1.705
local terms energy: -61.565464
where:
bonds (distance) C4'-P energy: -9.942
bonds (distance) P-C4' energy: -16.598
flat angles C4'-P-C4' energy: -17.725
flat angles P-C4'-P energy: -17.097
tors. eta vs tors. theta energy: -0.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -257.325873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.325873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.325873 (E_RNA)
where:
Base-Base interactions energy: -143.057
where: short stacking energy: -96.500
Base-Backbone interact. energy: -0.051
local terms energy: -114.217376
where:
bonds (distance) C4'-P energy: -24.346
bonds (distance) P-C4' energy: -20.048
flat angles C4'-P-C4' energy: -25.083
flat angles P-C4'-P energy: -16.940
tors. eta vs tors. theta energy: -27.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -215.150307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.150307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.150307 (E_RNA)
where:
Base-Base interactions energy: -130.123
where: short stacking energy: -76.832
Base-Backbone interact. energy: -0.457
local terms energy: -84.570547
where:
bonds (distance) C4'-P energy: -22.971
bonds (distance) P-C4' energy: -18.040
flat angles C4'-P-C4' energy: -20.975
flat angles P-C4'-P energy: -11.820
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: 3, replica: 4
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -247.573231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.573231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.573231 (E_RNA)
where:
Base-Base interactions energy: -151.400
where: short stacking energy: -68.379
Base-Backbone interact. energy: -0.523
local terms energy: -95.650576
where:
bonds (distance) C4'-P energy: -22.686
bonds (distance) P-C4' energy: -22.225
flat angles C4'-P-C4' energy: -21.574
flat angles P-C4'-P energy: -15.235
tors. eta vs tors. theta energy: -13.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -179.550015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.550015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.550015 (E_RNA)
where:
Base-Base interactions energy: -95.334
where: short stacking energy: -63.836
Base-Backbone interact. energy: -0.189
local terms energy: -84.026428
where:
bonds (distance) C4'-P energy: -22.802
bonds (distance) P-C4' energy: -21.465
flat angles C4'-P-C4' energy: -12.837
flat angles P-C4'-P energy: -18.053
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: 5, replica: 2
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -250.850561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.850561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.850561 (E_RNA)
where:
Base-Base interactions energy: -167.131
where: short stacking energy: -75.995
Base-Backbone interact. energy: -0.226
local terms energy: -83.493349
where:
bonds (distance) C4'-P energy: -14.858
bonds (distance) P-C4' energy: -22.329
flat angles C4'-P-C4' energy: -17.319
flat angles P-C4'-P energy: -14.549
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: 6, replica: 7
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -215.122275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.122275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.122275 (E_RNA)
where:
Base-Base interactions energy: -124.588
where: short stacking energy: -50.792
Base-Backbone interact. energy: -0.299
local terms energy: -90.235210
where:
bonds (distance) C4'-P energy: -19.535
bonds (distance) P-C4' energy: -23.355
flat angles C4'-P-C4' energy: -23.781
flat angles P-C4'-P energy: -11.940
tors. eta vs tors. theta energy: -11.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -209.859247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.859247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.859247 (E_RNA)
where:
Base-Base interactions energy: -131.598
where: short stacking energy: -66.668
Base-Backbone interact. energy: 0.425
local terms energy: -78.685925
where:
bonds (distance) C4'-P energy: -15.695
bonds (distance) P-C4' energy: -20.654
flat angles C4'-P-C4' energy: -16.310
flat angles P-C4'-P energy: -12.700
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: 8, replica: 8
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -201.822062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.822062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.822062 (E_RNA)
where:
Base-Base interactions energy: -118.544
where: short stacking energy: -60.356
Base-Backbone interact. energy: -0.535
local terms energy: -82.743601
where:
bonds (distance) C4'-P energy: -16.286
bonds (distance) P-C4' energy: -23.061
flat angles C4'-P-C4' energy: -14.094
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -15.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -113.690223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.690223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.690223 (E_RNA)
where:
Base-Base interactions energy: -42.003
where: short stacking energy: -35.786
Base-Backbone interact. energy: -0.251
local terms energy: -71.435830
where:
bonds (distance) C4'-P energy: -17.804
bonds (distance) P-C4' energy: -20.784
flat angles C4'-P-C4' energy: -18.837
flat angles P-C4'-P energy: -15.275
tors. eta vs tors. theta energy: 1.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -109.911748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.911748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.911748 (E_RNA)
where:
Base-Base interactions energy: -43.096
where: short stacking energy: -37.696
Base-Backbone interact. energy: -0.211
local terms energy: -66.604948
where:
bonds (distance) C4'-P energy: -17.801
bonds (distance) P-C4' energy: -18.681
flat angles C4'-P-C4' energy: -15.138
flat angles P-C4'-P energy: -9.030
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: 1, replica: 5
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -255.648782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.648782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.648782 (E_RNA)
where:
Base-Base interactions energy: -146.783
where: short stacking energy: -83.937
Base-Backbone interact. energy: -0.448
local terms energy: -108.417891
where:
bonds (distance) C4'-P energy: -24.454
bonds (distance) P-C4' energy: -21.401
flat angles C4'-P-C4' energy: -27.502
flat angles P-C4'-P energy: -14.941
tors. eta vs tors. theta energy: -20.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -265.282537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.282537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.282537 (E_RNA)
where:
Base-Base interactions energy: -162.614
where: short stacking energy: -99.528
Base-Backbone interact. energy: 1.716
local terms energy: -104.384666
where:
bonds (distance) C4'-P energy: -21.004
bonds (distance) P-C4' energy: -23.337
flat angles C4'-P-C4' energy: -23.411
flat angles P-C4'-P energy: -12.965
tors. eta vs tors. theta energy: -23.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -203.317926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.317926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.317926 (E_RNA)
where:
Base-Base interactions energy: -119.448
where: short stacking energy: -64.353
Base-Backbone interact. energy: 0.308
local terms energy: -84.177972
where:
bonds (distance) C4'-P energy: -19.027
bonds (distance) P-C4' energy: -22.380
flat angles C4'-P-C4' energy: -20.454
flat angles P-C4'-P energy: -11.497
tors. eta vs tors. theta energy: -10.819
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: 2
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -249.979544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.979544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.979544 (E_RNA)
where:
Base-Base interactions energy: -159.934
where: short stacking energy: -77.669
Base-Backbone interact. energy: -0.375
local terms energy: -89.670100
where:
bonds (distance) C4'-P energy: -25.046
bonds (distance) P-C4' energy: -24.601
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -12.325
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: 5, replica: 3
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -173.012621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.012621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.012621 (E_RNA)
where:
Base-Base interactions energy: -89.275
where: short stacking energy: -54.122
Base-Backbone interact. energy: -0.220
local terms energy: -83.517716
where:
bonds (distance) C4'-P energy: -22.366
bonds (distance) P-C4' energy: -26.309
flat angles C4'-P-C4' energy: -23.523
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -1.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -230.034132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.034132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.034132 (E_RNA)
where:
Base-Base interactions energy: -143.298
where: short stacking energy: -67.590
Base-Backbone interact. energy: 2.047
local terms energy: -88.783267
where:
bonds (distance) C4'-P energy: -14.779
bonds (distance) P-C4' energy: -23.762
flat angles C4'-P-C4' energy: -17.625
flat angles P-C4'-P energy: -20.334
tors. eta vs tors. theta energy: -12.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -186.207358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.207358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.207358 (E_RNA)
where:
Base-Base interactions energy: -89.570
where: short stacking energy: -59.537
Base-Backbone interact. energy: 0.375
local terms energy: -97.011766
where:
bonds (distance) C4'-P energy: -22.396
bonds (distance) P-C4' energy: -24.276
flat angles C4'-P-C4' energy: -23.018
flat angles P-C4'-P energy: -12.425
tors. eta vs tors. theta energy: -14.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -211.162955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.162955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.162955 (E_RNA)
where:
Base-Base interactions energy: -131.075
where: short stacking energy: -65.667
Base-Backbone interact. energy: -2.002
local terms energy: -78.085887
where:
bonds (distance) C4'-P energy: -10.887
bonds (distance) P-C4' energy: -19.038
flat angles C4'-P-C4' energy: -21.727
flat angles P-C4'-P energy: -12.510
tors. eta vs tors. theta energy: -13.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -196.145687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.145687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.145687 (E_RNA)
where:
Base-Base interactions energy: -121.287
where: short stacking energy: -63.681
Base-Backbone interact. energy: 0.296
local terms energy: -75.155257
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -15.661
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -13.896
tors. eta vs tors. theta energy: -14.040
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: 7
Temperature: 1.350000
Total energy: -104.706436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.706436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.706436 (E_RNA)
where:
Base-Base interactions energy: -30.493
where: short stacking energy: -30.493
Base-Backbone interact. energy: 1.760
local terms energy: -75.974097
where:
bonds (distance) C4'-P energy: -21.181
bonds (distance) P-C4' energy: -25.079
flat angles C4'-P-C4' energy: -14.756
flat angles P-C4'-P energy: -11.069
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: 4
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -297.689620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.689620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.689620 (E_RNA)
where:
Base-Base interactions energy: -186.587
where: short stacking energy: -96.380
Base-Backbone interact. energy: -0.142
local terms energy: -110.960385
where:
bonds (distance) C4'-P energy: -18.004
bonds (distance) P-C4' energy: -24.256
flat angles C4'-P-C4' energy: -23.252
flat angles P-C4'-P energy: -18.026
tors. eta vs tors. theta energy: -27.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -260.293802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.293802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.293802 (E_RNA)
where:
Base-Base interactions energy: -149.896
where: short stacking energy: -82.025
Base-Backbone interact. energy: 0.309
local terms energy: -110.706611
where:
bonds (distance) C4'-P energy: -20.906
bonds (distance) P-C4' energy: -25.142
flat angles C4'-P-C4' energy: -23.943
flat angles P-C4'-P energy: -17.879
tors. eta vs tors. theta energy: -22.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -258.909062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.909062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.909062 (E_RNA)
where:
Base-Base interactions energy: -163.316
where: short stacking energy: -81.745
Base-Backbone interact. energy: -0.122
local terms energy: -95.471121
where:
bonds (distance) C4'-P energy: -19.929
bonds (distance) P-C4' energy: -25.395
flat angles C4'-P-C4' energy: -20.406
flat angles P-C4'-P energy: -13.505
tors. eta vs tors. theta energy: -16.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -189.676206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.676206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.676206 (E_RNA)
where:
Base-Base interactions energy: -90.679
where: short stacking energy: -57.623
Base-Backbone interact. energy: 0.507
local terms energy: -99.503904
where:
bonds (distance) C4'-P energy: -25.885
bonds (distance) P-C4' energy: -24.821
flat angles C4'-P-C4' energy: -21.343
flat angles P-C4'-P energy: -16.596
tors. eta vs tors. theta energy: -10.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -261.908443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.908443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.908443 (E_RNA)
where:
Base-Base interactions energy: -164.907
where: short stacking energy: -80.252
Base-Backbone interact. energy: -0.424
local terms energy: -96.577770
where:
bonds (distance) C4'-P energy: -19.854
bonds (distance) P-C4' energy: -22.532
flat angles C4'-P-C4' energy: -19.790
flat angles P-C4'-P energy: -16.979
tors. eta vs tors. theta energy: -17.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -195.368648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.368648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.368648 (E_RNA)
where:
Base-Base interactions energy: -114.986
where: short stacking energy: -77.775
Base-Backbone interact. energy: 0.969
local terms energy: -81.351803
where:
bonds (distance) C4'-P energy: -18.972
bonds (distance) P-C4' energy: -19.017
flat angles C4'-P-C4' energy: -17.171
flat angles P-C4'-P energy: -11.140
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: 7, replica: 8
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -262.019274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.019274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.019274 (E_RNA)
where:
Base-Base interactions energy: -160.200
where: short stacking energy: -80.074
Base-Backbone interact. energy: -0.588
local terms energy: -101.231503
where:
bonds (distance) C4'-P energy: -17.238
bonds (distance) P-C4' energy: -21.329
flat angles C4'-P-C4' energy: -25.156
flat angles P-C4'-P energy: -17.220
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: 8, replica: 7
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -145.533267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.533267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.533267 (E_RNA)
where:
Base-Base interactions energy: -68.161
where: short stacking energy: -42.301
Base-Backbone interact. energy: -0.215
local terms energy: -77.157347
where:
bonds (distance) C4'-P energy: -17.531
bonds (distance) P-C4' energy: -25.406
flat angles C4'-P-C4' energy: -16.249
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -7.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -200.592033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.592033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.592033 (E_RNA)
where:
Base-Base interactions energy: -115.876
where: short stacking energy: -62.306
Base-Backbone interact. energy: -0.265
local terms energy: -84.450760
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -20.017
flat angles C4'-P-C4' energy: -22.339
flat angles P-C4'-P energy: -13.310
tors. eta vs tors. theta energy: -12.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -115.389537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.389537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.389537 (E_RNA)
where:
Base-Base interactions energy: -63.429
where: short stacking energy: -46.284
Base-Backbone interact. energy: -0.090
local terms energy: -51.870216
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -9.705
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: 1, replica: 4
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -298.594456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.594456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.594456 (E_RNA)
where:
Base-Base interactions energy: -179.716
where: short stacking energy: -100.444
Base-Backbone interact. energy: -0.029
local terms energy: -118.848644
where:
bonds (distance) C4'-P energy: -23.526
bonds (distance) P-C4' energy: -23.185
flat angles C4'-P-C4' energy: -26.336
flat angles P-C4'-P energy: -17.275
tors. eta vs tors. theta energy: -28.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -265.474767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.474767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.474767 (E_RNA)
where:
Base-Base interactions energy: -158.334
where: short stacking energy: -81.780
Base-Backbone interact. energy: -0.216
local terms energy: -106.924447
where:
bonds (distance) C4'-P energy: -25.404
bonds (distance) P-C4' energy: -24.360
flat angles C4'-P-C4' energy: -23.173
flat angles P-C4'-P energy: -15.907
tors. eta vs tors. theta energy: -18.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -241.620908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.620908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.620908 (E_RNA)
where:
Base-Base interactions energy: -153.511
where: short stacking energy: -82.505
Base-Backbone interact. energy: -0.587
local terms energy: -87.522851
where:
bonds (distance) C4'-P energy: -19.760
bonds (distance) P-C4' energy: -17.380
flat angles C4'-P-C4' energy: -21.592
flat angles P-C4'-P energy: -14.522
tors. eta vs tors. theta energy: -14.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -290.226359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.226359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.226359 (E_RNA)
where:
Base-Base interactions energy: -184.214
where: short stacking energy: -96.824
Base-Backbone interact. energy: -0.043
local terms energy: -105.970061
where:
bonds (distance) C4'-P energy: -25.137
bonds (distance) P-C4' energy: -19.305
flat angles C4'-P-C4' energy: -22.647
flat angles P-C4'-P energy: -14.595
tors. eta vs tors. theta energy: -24.286
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: 1
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -195.412827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.412827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.412827 (E_RNA)
where:
Base-Base interactions energy: -92.204
where: short stacking energy: -67.599
Base-Backbone interact. energy: -0.018
local terms energy: -103.191043
where:
bonds (distance) C4'-P energy: -22.470
bonds (distance) P-C4' energy: -23.157
flat angles C4'-P-C4' energy: -21.478
flat angles P-C4'-P energy: -14.447
tors. eta vs tors. theta energy: -21.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -273.678397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.678397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.678397 (E_RNA)
where:
Base-Base interactions energy: -185.784
where: short stacking energy: -83.159
Base-Backbone interact. energy: -0.214
local terms energy: -87.680757
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -21.110
flat angles C4'-P-C4' energy: -22.344
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -17.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -160.425170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.425170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.425170 (E_RNA)
where:
Base-Base interactions energy: -82.098
where: short stacking energy: -48.421
Base-Backbone interact. energy: -1.501
local terms energy: -76.826389
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -23.730
flat angles C4'-P-C4' energy: -17.845
flat angles P-C4'-P energy: -9.827
tors. eta vs tors. theta energy: -8.487
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: 9
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -218.847317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.847317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.847317 (E_RNA)
where:
Base-Base interactions energy: -120.886
where: short stacking energy: -47.164
Base-Backbone interact. energy: -0.085
local terms energy: -97.877135
where:
bonds (distance) C4'-P energy: -25.000
bonds (distance) P-C4' energy: -26.767
flat angles C4'-P-C4' energy: -20.799
flat angles P-C4'-P energy: -12.056
tors. eta vs tors. theta energy: -13.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -116.802918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.802918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.802918 (E_RNA)
where:
Base-Base interactions energy: -56.852
where: short stacking energy: -37.206
Base-Backbone interact. energy: -0.648
local terms energy: -59.303116
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -15.189
flat angles C4'-P-C4' energy: -17.822
flat angles P-C4'-P energy: -14.111
tors. eta vs tors. theta energy: 3.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -103.847443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.847443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.847443 (E_RNA)
where:
Base-Base interactions energy: -35.608
where: short stacking energy: -25.044
Base-Backbone interact. energy: 1.749
local terms energy: -69.988067
where:
bonds (distance) C4'-P energy: -15.880
bonds (distance) P-C4' energy: -22.627
flat angles C4'-P-C4' energy: -16.535
flat angles P-C4'-P energy: -17.113
tors. eta vs tors. theta energy: 2.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -270.172516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.172516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.172516 (E_RNA)
where:
Base-Base interactions energy: -152.761
where: short stacking energy: -85.883
Base-Backbone interact. energy: -0.217
local terms energy: -117.194540
where:
bonds (distance) C4'-P energy: -25.879
bonds (distance) P-C4' energy: -24.595
flat angles C4'-P-C4' energy: -22.902
flat angles P-C4'-P energy: -16.201
tors. eta vs tors. theta energy: -27.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -284.628206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.628206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.628206 (E_RNA)
where:
Base-Base interactions energy: -185.502
where: short stacking energy: -82.912
Base-Backbone interact. energy: -0.260
local terms energy: -98.866563
where:
bonds (distance) C4'-P energy: -22.247
bonds (distance) P-C4' energy: -24.234
flat angles C4'-P-C4' energy: -19.101
flat angles P-C4'-P energy: -16.722
tors. eta vs tors. theta energy: -16.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -293.445710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.445710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.445710 (E_RNA)
where:
Base-Base interactions energy: -186.195
where: short stacking energy: -79.738
Base-Backbone interact. energy: -0.100
local terms energy: -107.150851
where:
bonds (distance) C4'-P energy: -20.777
bonds (distance) P-C4' energy: -26.820
flat angles C4'-P-C4' energy: -24.560
flat angles P-C4'-P energy: -13.866
tors. eta vs tors. theta energy: -21.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -259.633965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.633965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.633965 (E_RNA)
where:
Base-Base interactions energy: -165.178
where: short stacking energy: -88.392
Base-Backbone interact. energy: -0.008
local terms energy: -94.447411
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -18.327
flat angles C4'-P-C4' energy: -20.891
flat angles P-C4'-P energy: -13.757
tors. eta vs tors. theta energy: -25.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -265.840813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.840813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.840813 (E_RNA)
where:
Base-Base interactions energy: -174.079
where: short stacking energy: -89.550
Base-Backbone interact. energy: -0.007
local terms energy: -91.754398
where:
bonds (distance) C4'-P energy: -16.902
bonds (distance) P-C4' energy: -18.849
flat angles C4'-P-C4' energy: -21.651
flat angles P-C4'-P energy: -14.498
tors. eta vs tors. theta energy: -19.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -190.020160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.020160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.020160 (E_RNA)
where:
Base-Base interactions energy: -103.216
where: short stacking energy: -70.684
Base-Backbone interact. energy: -0.015
local terms energy: -86.789017
where:
bonds (distance) C4'-P energy: -20.570
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -20.071
flat angles P-C4'-P energy: -15.057
tors. eta vs tors. theta energy: -15.777
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: 9
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -219.426946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.426946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.426946 (E_RNA)
where:
Base-Base interactions energy: -123.026
where: short stacking energy: -65.548
Base-Backbone interact. energy: -0.293
local terms energy: -96.107307
where:
bonds (distance) C4'-P energy: -21.920
bonds (distance) P-C4' energy: -25.255
flat angles C4'-P-C4' energy: -19.818
flat angles P-C4'-P energy: -13.911
tors. eta vs tors. theta energy: -15.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -146.814395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.814395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.814395 (E_RNA)
where:
Base-Base interactions energy: -67.058
where: short stacking energy: -41.614
Base-Backbone interact. energy: -0.389
local terms energy: -79.367101
where:
bonds (distance) C4'-P energy: -23.643
bonds (distance) P-C4' energy: -22.335
flat angles C4'-P-C4' energy: -17.137
flat angles P-C4'-P energy: -14.793
tors. eta vs tors. theta energy: -1.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -115.456536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.456536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.456536 (E_RNA)
where:
Base-Base interactions energy: -40.941
where: short stacking energy: -34.172
Base-Backbone interact. energy: -0.609
local terms energy: -73.906008
where:
bonds (distance) C4'-P energy: -22.844
bonds (distance) P-C4' energy: -22.045
flat angles C4'-P-C4' energy: -19.201
flat angles P-C4'-P energy: -11.923
tors. eta vs tors. theta energy: 2.107
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: 10, replica: 6
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -108.728627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.728627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.728627 (E_RNA)
where:
Base-Base interactions energy: -40.614
where: short stacking energy: -15.997
Base-Backbone interact. energy: -0.980
local terms energy: -67.134927
where:
bonds (distance) C4'-P energy: -24.496
bonds (distance) P-C4' energy: -22.569
flat angles C4'-P-C4' energy: -22.185
flat angles P-C4'-P energy: -6.599
tors. eta vs tors. theta energy: 8.715
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: 1, replica: 5
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -259.575130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.575130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.575130 (E_RNA)
where:
Base-Base interactions energy: -155.530
where: short stacking energy: -73.996
Base-Backbone interact. energy: -0.306
local terms energy: -103.739332
where:
bonds (distance) C4'-P energy: -24.797
bonds (distance) P-C4' energy: -26.597
flat angles C4'-P-C4' energy: -19.508
flat angles P-C4'-P energy: -14.466
tors. eta vs tors. theta energy: -18.371
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: 10
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -301.676323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.676323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.676323 (E_RNA)
where:
Base-Base interactions energy: -189.330
where: short stacking energy: -93.451
Base-Backbone interact. energy: -0.096
local terms energy: -112.250311
where:
bonds (distance) C4'-P energy: -18.557
bonds (distance) P-C4' energy: -25.712
flat angles C4'-P-C4' energy: -20.348
flat angles P-C4'-P energy: -19.677
tors. eta vs tors. theta energy: -27.955
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: 4
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -291.105830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.105830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.105830 (E_RNA)
where:
Base-Base interactions energy: -194.328
where: short stacking energy: -90.351
Base-Backbone interact. energy: 0.457
local terms energy: -97.234834
where:
bonds (distance) C4'-P energy: -20.215
bonds (distance) P-C4' energy: -20.295
flat angles C4'-P-C4' energy: -23.065
flat angles P-C4'-P energy: -8.558
tors. eta vs tors. theta energy: -25.103
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: 2
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -260.731528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.731528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.731528 (E_RNA)
where:
Base-Base interactions energy: -155.284
where: short stacking energy: -82.816
Base-Backbone interact. energy: -0.009
local terms energy: -105.438039
where:
bonds (distance) C4'-P energy: -17.897
bonds (distance) P-C4' energy: -26.301
flat angles C4'-P-C4' energy: -24.861
flat angles P-C4'-P energy: -16.757
tors. eta vs tors. theta energy: -19.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -275.304037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.304037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.304037 (E_RNA)
where:
Base-Base interactions energy: -183.616
where: short stacking energy: -89.162
Base-Backbone interact. energy: -0.075
local terms energy: -91.613174
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -20.281
flat angles C4'-P-C4' energy: -20.352
flat angles P-C4'-P energy: -9.495
tors. eta vs tors. theta energy: -26.012
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: 11
Temperature: 1.150000
Total energy: -221.409601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.409601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.409601 (E_RNA)
where:
Base-Base interactions energy: -134.376
where: short stacking energy: -64.442
Base-Backbone interact. energy: -0.134
local terms energy: -86.898834
where:
bonds (distance) C4'-P energy: -20.419
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -19.125
flat angles P-C4'-P energy: -15.744
tors. eta vs tors. theta energy: -15.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -181.676907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.676907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.676907 (E_RNA)
where:
Base-Base interactions energy: -100.335
where: short stacking energy: -59.925
Base-Backbone interact. energy: 2.540
local terms energy: -83.881622
where:
bonds (distance) C4'-P energy: -19.183
bonds (distance) P-C4' energy: -21.914
flat angles C4'-P-C4' energy: -19.965
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -13.095
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: 11
Temperature: 1.250000
Total energy: -112.469338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.469338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.469338 (E_RNA)
where:
Base-Base interactions energy: -43.151
where: short stacking energy: -30.930
Base-Backbone interact. energy: -0.570
local terms energy: -68.748744
where:
bonds (distance) C4'-P energy: -19.372
bonds (distance) P-C4' energy: -19.144
flat angles C4'-P-C4' energy: -17.448
flat angles P-C4'-P energy: -11.216
tors. eta vs tors. theta energy: -1.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -114.424637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.424637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.424637 (E_RNA)
where:
Base-Base interactions energy: -43.201
where: short stacking energy: -39.004
Base-Backbone interact. energy: -0.061
local terms energy: -71.163207
where:
bonds (distance) C4'-P energy: -23.555
bonds (distance) P-C4' energy: -18.784
flat angles C4'-P-C4' energy: -7.666
flat angles P-C4'-P energy: -15.235
tors. eta vs tors. theta energy: -5.924
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: 6
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -113.850327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.850327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.850327 (E_RNA)
where:
Base-Base interactions energy: -65.227
where: short stacking energy: -40.363
Base-Backbone interact. energy: -0.668
local terms energy: -47.955091
where:
bonds (distance) C4'-P energy: -4.301
bonds (distance) P-C4' energy: -19.614
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -5.049
tors. eta vs tors. theta energy: -2.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -311.909155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.909155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.909155 (E_RNA)
where:
Base-Base interactions energy: -194.580
where: short stacking energy: -93.697
Base-Backbone interact. energy: -0.098
local terms energy: -117.230886
where:
bonds (distance) C4'-P energy: -22.920
bonds (distance) P-C4' energy: -26.666
flat angles C4'-P-C4' energy: -23.991
flat angles P-C4'-P energy: -18.251
tors. eta vs tors. theta energy: -25.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -265.940696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.940696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.940696 (E_RNA)
where:
Base-Base interactions energy: -154.697
where: short stacking energy: -95.389
Base-Backbone interact. energy: -0.047
local terms energy: -111.196962
where:
bonds (distance) C4'-P energy: -25.936
bonds (distance) P-C4' energy: -24.187
flat angles C4'-P-C4' energy: -22.889
flat angles P-C4'-P energy: -13.433
tors. eta vs tors. theta energy: -24.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -293.013362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.013362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.013362 (E_RNA)
where:
Base-Base interactions energy: -190.157
where: short stacking energy: -82.279
Base-Backbone interact. energy: -0.747
local terms energy: -102.109005
where:
bonds (distance) C4'-P energy: -17.127
bonds (distance) P-C4' energy: -27.992
flat angles C4'-P-C4' energy: -25.462
flat angles P-C4'-P energy: -13.342
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: 4, replica: 2
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -261.405485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.405485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.405485 (E_RNA)
where:
Base-Base interactions energy: -173.382
where: short stacking energy: -83.552
Base-Backbone interact. energy: -0.544
local terms energy: -87.479067
where:
bonds (distance) C4'-P energy: -16.637
bonds (distance) P-C4' energy: -21.696
flat angles C4'-P-C4' energy: -19.491
flat angles P-C4'-P energy: -13.591
tors. eta vs tors. theta energy: -16.065
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: 8
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -287.336705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.336705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.336705 (E_RNA)
where:
Base-Base interactions energy: -187.171
where: short stacking energy: -87.163
Base-Backbone interact. energy: -0.470
local terms energy: -99.695021
where:
bonds (distance) C4'-P energy: -19.104
bonds (distance) P-C4' energy: -24.543
flat angles C4'-P-C4' energy: -19.468
flat angles P-C4'-P energy: -16.936
tors. eta vs tors. theta energy: -19.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -252.275383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.275383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.275383 (E_RNA)
where:
Base-Base interactions energy: -153.722
where: short stacking energy: -70.545
Base-Backbone interact. energy: -0.047
local terms energy: -98.506279
where:
bonds (distance) C4'-P energy: -21.143
bonds (distance) P-C4' energy: -21.180
flat angles C4'-P-C4' energy: -19.623
flat angles P-C4'-P energy: -14.117
tors. eta vs tors. theta energy: -22.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -174.981788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.981788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.981788 (E_RNA)
where:
Base-Base interactions energy: -88.631
where: short stacking energy: -59.021
Base-Backbone interact. energy: -0.064
local terms energy: -86.286539
where:
bonds (distance) C4'-P energy: -24.611
bonds (distance) P-C4' energy: -22.735
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -14.626
tors. eta vs tors. theta energy: -9.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -119.811212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.811212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.811212 (E_RNA)
where:
Base-Base interactions energy: -39.002
where: short stacking energy: -38.802
Base-Backbone interact. energy: -0.880
local terms energy: -79.929381
where:
bonds (distance) C4'-P energy: -18.810
bonds (distance) P-C4' energy: -21.415
flat angles C4'-P-C4' energy: -17.960
flat angles P-C4'-P energy: -13.791
tors. eta vs tors. theta energy: -7.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -113.919076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.919076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.919076 (E_RNA)
where:
Base-Base interactions energy: -54.238
where: short stacking energy: -35.533
Base-Backbone interact. energy: -0.294
local terms energy: -59.386850
where:
bonds (distance) C4'-P energy: -18.830
bonds (distance) P-C4' energy: -18.605
flat angles C4'-P-C4' energy: -9.577
flat angles P-C4'-P energy: -14.130
tors. eta vs tors. theta energy: 1.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -112.826552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.826552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.826552 (E_RNA)
where:
Base-Base interactions energy: -41.022
where: short stacking energy: -40.674
Base-Backbone interact. energy: -0.547
local terms energy: -71.257874
where:
bonds (distance) C4'-P energy: -16.883
bonds (distance) P-C4' energy: -20.709
flat angles C4'-P-C4' energy: -18.397
flat angles P-C4'-P energy: -9.315
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: 1, replica: 10
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -317.883828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.883828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.883828 (E_RNA)
where:
Base-Base interactions energy: -219.068
where: short stacking energy: -92.484
Base-Backbone interact. energy: -1.303
local terms energy: -97.513305
where:
bonds (distance) C4'-P energy: -24.487
bonds (distance) P-C4' energy: -22.177
flat angles C4'-P-C4' energy: -18.440
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -22.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -301.213663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.213663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.213663 (E_RNA)
where:
Base-Base interactions energy: -193.169
where: short stacking energy: -80.856
Base-Backbone interact. energy: -0.319
local terms energy: -107.725588
where:
bonds (distance) C4'-P energy: -24.822
bonds (distance) P-C4' energy: -24.841
flat angles C4'-P-C4' energy: -22.026
flat angles P-C4'-P energy: -17.139
tors. eta vs tors. theta energy: -18.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -243.860277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.860277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.860277 (E_RNA)
where:
Base-Base interactions energy: -137.471
where: short stacking energy: -81.461
Base-Backbone interact. energy: -0.042
local terms energy: -106.347238
where:
bonds (distance) C4'-P energy: -22.177
bonds (distance) P-C4' energy: -23.010
flat angles C4'-P-C4' energy: -24.764
flat angles P-C4'-P energy: -13.175
tors. eta vs tors. theta energy: -23.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -307.929589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.929589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.929589 (E_RNA)
where:
Base-Base interactions energy: -203.694
where: short stacking energy: -91.708
Base-Backbone interact. energy: -0.871
local terms energy: -103.364131
where:
bonds (distance) C4'-P energy: -22.927
bonds (distance) P-C4' energy: -27.823
flat angles C4'-P-C4' energy: -21.010
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -20.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -251.774488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.774488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.774488 (E_RNA)
where:
Base-Base interactions energy: -158.007
where: short stacking energy: -85.826
Base-Backbone interact. energy: -0.083
local terms energy: -93.684665
where:
bonds (distance) C4'-P energy: -17.755
bonds (distance) P-C4' energy: -20.531
flat angles C4'-P-C4' energy: -21.547
flat angles P-C4'-P energy: -13.913
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: 6, replica: 9
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -263.175811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.175811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.175811 (E_RNA)
where:
Base-Base interactions energy: -157.158
where: short stacking energy: -80.557
Base-Backbone interact. energy: -0.744
local terms energy: -105.273962
where:
bonds (distance) C4'-P energy: -20.845
bonds (distance) P-C4' energy: -23.550
flat angles C4'-P-C4' energy: -24.256
flat angles P-C4'-P energy: -17.160
tors. eta vs tors. theta energy: -19.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -195.152758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.152758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.152758 (E_RNA)
where:
Base-Base interactions energy: -101.381
where: short stacking energy: -65.745
Base-Backbone interact. energy: -0.003
local terms energy: -93.768196
where:
bonds (distance) C4'-P energy: -19.382
bonds (distance) P-C4' energy: -22.431
flat angles C4'-P-C4' energy: -21.858
flat angles P-C4'-P energy: -9.332
tors. eta vs tors. theta energy: -20.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -119.948740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.948740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.948740 (E_RNA)
where:
Base-Base interactions energy: -50.337
where: short stacking energy: -47.915
Base-Backbone interact. energy: -0.305
local terms energy: -69.306988
where:
bonds (distance) C4'-P energy: -19.020
bonds (distance) P-C4' energy: -18.693
flat angles C4'-P-C4' energy: -20.718
flat angles P-C4'-P energy: -4.089
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: 3
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -125.911534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.911534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.911534 (E_RNA)
where:
Base-Base interactions energy: -61.921
where: short stacking energy: -40.901
Base-Backbone interact. energy: -0.285
local terms energy: -63.705654
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -21.560
flat angles C4'-P-C4' energy: -17.761
flat angles P-C4'-P energy: -9.428
tors. eta vs tors. theta energy: -1.541
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: 6
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -117.974380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.974380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.974380 (E_RNA)
where:
Base-Base interactions energy: -51.989
where: short stacking energy: -31.641
Base-Backbone interact. energy: -0.227
local terms energy: -65.757674
where:
bonds (distance) C4'-P energy: -14.619
bonds (distance) P-C4' energy: -23.052
flat angles C4'-P-C4' energy: -20.481
flat angles P-C4'-P energy: -4.235
tors. eta vs tors. theta energy: -3.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -297.888127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.888127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.888127 (E_RNA)
where:
Base-Base interactions energy: -206.530
where: short stacking energy: -87.033
Base-Backbone interact. energy: -0.016
local terms energy: -91.342114
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -23.795
flat angles C4'-P-C4' energy: -19.779
flat angles P-C4'-P energy: -13.716
tors. eta vs tors. theta energy: -20.678
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: 10
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -333.250264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.250264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.250264 (E_RNA)
where:
Base-Base interactions energy: -219.302
where: short stacking energy: -98.979
Base-Backbone interact. energy: -0.264
local terms energy: -113.684218
where:
bonds (distance) C4'-P energy: -21.743
bonds (distance) P-C4' energy: -21.578
flat angles C4'-P-C4' energy: -25.792
flat angles P-C4'-P energy: -15.181
tors. eta vs tors. theta energy: -29.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -308.785238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.785238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.785238 (E_RNA)
where:
Base-Base interactions energy: -204.039
where: short stacking energy: -94.594
Base-Backbone interact. energy: -3.053
local terms energy: -101.693671
where:
bonds (distance) C4'-P energy: -25.374
bonds (distance) P-C4' energy: -25.261
flat angles C4'-P-C4' energy: -18.764
flat angles P-C4'-P energy: -10.346
tors. eta vs tors. theta energy: -21.948
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: 4, replica: 5
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -234.920458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.920458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.920458 (E_RNA)
where:
Base-Base interactions energy: -126.411
where: short stacking energy: -78.998
Base-Backbone interact. energy: 1.633
local terms energy: -110.141836
where:
bonds (distance) C4'-P energy: -19.897
bonds (distance) P-C4' energy: -28.436
flat angles C4'-P-C4' energy: -23.031
flat angles P-C4'-P energy: -16.481
tors. eta vs tors. theta energy: -22.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -263.633843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.633843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.633843 (E_RNA)
where:
Base-Base interactions energy: -175.552
where: short stacking energy: -76.580
Base-Backbone interact. energy: -0.485
local terms energy: -87.596813
where:
bonds (distance) C4'-P energy: -17.064
bonds (distance) P-C4' energy: -17.589
flat angles C4'-P-C4' energy: -20.228
flat angles P-C4'-P energy: -12.403
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: 6, replica: 9
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -254.216826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.216826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.216826 (E_RNA)
where:
Base-Base interactions energy: -160.110
where: short stacking energy: -69.272
Base-Backbone interact. energy: -0.224
local terms energy: -93.882714
where:
bonds (distance) C4'-P energy: -24.751
bonds (distance) P-C4' energy: -20.148
flat angles C4'-P-C4' energy: -19.365
flat angles P-C4'-P energy: -18.392
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: 7, replica: 1
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -203.311828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.311828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.311828 (E_RNA)
where:
Base-Base interactions energy: -112.340
where: short stacking energy: -63.487
Base-Backbone interact. energy: -1.358
local terms energy: -89.613896
where:
bonds (distance) C4'-P energy: -20.598
bonds (distance) P-C4' energy: -19.354
flat angles C4'-P-C4' energy: -19.628
flat angles P-C4'-P energy: -16.015
tors. eta vs tors. theta energy: -14.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -122.498945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.498945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.498945 (E_RNA)
where:
Base-Base interactions energy: -53.358
where: short stacking energy: -44.616
Base-Backbone interact. energy: -0.582
local terms energy: -68.559452
where:
bonds (distance) C4'-P energy: -17.046
bonds (distance) P-C4' energy: -21.025
flat angles C4'-P-C4' energy: -18.919
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: -0.621
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: 6
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -122.200564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.200564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.200564 (E_RNA)
where:
Base-Base interactions energy: -42.103
where: short stacking energy: -33.411
Base-Backbone interact. energy: -0.685
local terms energy: -79.412581
where:
bonds (distance) C4'-P energy: -22.194
bonds (distance) P-C4' energy: -21.430
flat angles C4'-P-C4' energy: -19.155
flat angles P-C4'-P energy: -13.659
tors. eta vs tors. theta energy: -2.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -116.623131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.623131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.623131 (E_RNA)
where:
Base-Base interactions energy: -41.649
where: short stacking energy: -41.649
Base-Backbone interact. energy: -0.293
local terms energy: -74.681379
where:
bonds (distance) C4'-P energy: -21.973
bonds (distance) P-C4' energy: -18.259
flat angles C4'-P-C4' energy: -17.776
flat angles P-C4'-P energy: -11.409
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: 4
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -300.258228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.258228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.258228 (E_RNA)
where:
Base-Base interactions energy: -195.850
where: short stacking energy: -92.332
Base-Backbone interact. energy: -0.558
local terms energy: -103.850264
where:
bonds (distance) C4'-P energy: -23.423
bonds (distance) P-C4' energy: -22.281
flat angles C4'-P-C4' energy: -19.656
flat angles P-C4'-P energy: -17.746
tors. eta vs tors. theta energy: -20.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -299.944058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.944058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.944058 (E_RNA)
where:
Base-Base interactions energy: -194.533
where: short stacking energy: -82.692
Base-Backbone interact. energy: -0.346
local terms energy: -105.065153
where:
bonds (distance) C4'-P energy: -23.190
bonds (distance) P-C4' energy: -24.167
flat angles C4'-P-C4' energy: -19.602
flat angles P-C4'-P energy: -16.810
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: 10
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -321.718516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.718516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.718516 (E_RNA)
where:
Base-Base interactions energy: -212.704
where: short stacking energy: -91.764
Base-Backbone interact. energy: -0.291
local terms energy: -108.723191
where:
bonds (distance) C4'-P energy: -18.323
bonds (distance) P-C4' energy: -23.962
flat angles C4'-P-C4' energy: -25.229
flat angles P-C4'-P energy: -17.864
tors. eta vs tors. theta energy: -23.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -284.227908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.227908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.227908 (E_RNA)
where:
Base-Base interactions energy: -182.653
where: short stacking energy: -75.724
Base-Backbone interact. energy: -0.238
local terms energy: -101.336801
where:
bonds (distance) C4'-P energy: -23.879
bonds (distance) P-C4' energy: -20.953
flat angles C4'-P-C4' energy: -20.534
flat angles P-C4'-P energy: -16.458
tors. eta vs tors. theta energy: -19.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -193.528656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.528656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.528656 (E_RNA)
where:
Base-Base interactions energy: -98.561
where: short stacking energy: -57.618
Base-Backbone interact. energy: 1.144
local terms energy: -96.111072
where:
bonds (distance) C4'-P energy: -19.847
bonds (distance) P-C4' energy: -25.011
flat angles C4'-P-C4' energy: -23.396
flat angles P-C4'-P energy: -14.492
tors. eta vs tors. theta energy: -13.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -253.893359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.893359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.893359 (E_RNA)
where:
Base-Base interactions energy: -165.770
where: short stacking energy: -75.245
Base-Backbone interact. energy: -0.055
local terms energy: -88.068334
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -23.443
flat angles C4'-P-C4' energy: -21.526
flat angles P-C4'-P energy: -11.713
tors. eta vs tors. theta energy: -14.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -163.941537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.941537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.941537 (E_RNA)
where:
Base-Base interactions energy: -80.055
where: short stacking energy: -57.963
Base-Backbone interact. energy: -0.402
local terms energy: -83.484676
where:
bonds (distance) C4'-P energy: -24.098
bonds (distance) P-C4' energy: -21.927
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -11.005
tors. eta vs tors. theta energy: -12.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -142.811625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.811625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.811625 (E_RNA)
where:
Base-Base interactions energy: -62.653
where: short stacking energy: -56.405
Base-Backbone interact. energy: -0.162
local terms energy: -79.996068
where:
bonds (distance) C4'-P energy: -20.294
bonds (distance) P-C4' energy: -19.964
flat angles C4'-P-C4' energy: -25.591
flat angles P-C4'-P energy: -7.754
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: 9, replica: 7
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -118.456459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.456459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.456459 (E_RNA)
where:
Base-Base interactions energy: -38.854
where: short stacking energy: -32.459
Base-Backbone interact. energy: -0.477
local terms energy: -79.125284
where:
bonds (distance) C4'-P energy: -23.579
bonds (distance) P-C4' energy: -23.688
flat angles C4'-P-C4' energy: -18.065
flat angles P-C4'-P energy: -16.227
tors. eta vs tors. theta energy: 2.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -107.380063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.380063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.380063 (E_RNA)
where:
Base-Base interactions energy: -41.070
where: short stacking energy: -39.895
Base-Backbone interact. energy: -1.291
local terms energy: -65.018928
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -17.639
flat angles C4'-P-C4' energy: -16.228
flat angles P-C4'-P energy: -12.316
tors. eta vs tors. theta energy: -4.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -305.683116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.683116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.683116 (E_RNA)
where:
Base-Base interactions energy: -197.635
where: short stacking energy: -84.386
Base-Backbone interact. energy: -0.228
local terms energy: -107.819895
where:
bonds (distance) C4'-P energy: -25.534
bonds (distance) P-C4' energy: -25.148
flat angles C4'-P-C4' energy: -24.921
flat angles P-C4'-P energy: -13.885
tors. eta vs tors. theta energy: -18.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -291.481081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.481081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.481081 (E_RNA)
where:
Base-Base interactions energy: -186.792
where: short stacking energy: -92.655
Base-Backbone interact. energy: 0.625
local terms energy: -105.314096
where:
bonds (distance) C4'-P energy: -19.952
bonds (distance) P-C4' energy: -24.706
flat angles C4'-P-C4' energy: -22.598
flat angles P-C4'-P energy: -14.464
tors. eta vs tors. theta energy: -23.594
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: 10
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -320.969650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.969650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.969650 (E_RNA)
where:
Base-Base interactions energy: -226.193
where: short stacking energy: -91.318
Base-Backbone interact. energy: -0.247
local terms energy: -94.529564
where:
bonds (distance) C4'-P energy: -22.057
bonds (distance) P-C4' energy: -20.356
flat angles C4'-P-C4' energy: -18.522
flat angles P-C4'-P energy: -12.617
tors. eta vs tors. theta energy: -20.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -306.786006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.786006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.786006 (E_RNA)
where:
Base-Base interactions energy: -210.915
where: short stacking energy: -82.839
Base-Backbone interact. energy: -0.440
local terms energy: -95.431185
where:
bonds (distance) C4'-P energy: -20.909
bonds (distance) P-C4' energy: -24.651
flat angles C4'-P-C4' energy: -19.805
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: -20.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -276.014823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.014823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.014823 (E_RNA)
where:
Base-Base interactions energy: -178.316
where: short stacking energy: -78.258
Base-Backbone interact. energy: -0.607
local terms energy: -97.091600
where:
bonds (distance) C4'-P energy: -23.544
bonds (distance) P-C4' energy: -22.305
flat angles C4'-P-C4' energy: -20.613
flat angles P-C4'-P energy: -12.342
tors. eta vs tors. theta energy: -18.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -234.695929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.695929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.695929 (E_RNA)
where:
Base-Base interactions energy: -147.177
where: short stacking energy: -61.074
Base-Backbone interact. energy: -0.789
local terms energy: -86.730188
where:
bonds (distance) C4'-P energy: -20.791
bonds (distance) P-C4' energy: -18.545
flat angles C4'-P-C4' energy: -20.768
flat angles P-C4'-P energy: -13.154
tors. eta vs tors. theta energy: -13.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -139.012758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.012758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.012758 (E_RNA)
where:
Base-Base interactions energy: -53.855
where: short stacking energy: -44.293
Base-Backbone interact. energy: -0.705
local terms energy: -84.452790
where:
bonds (distance) C4'-P energy: -21.185
bonds (distance) P-C4' energy: -25.889
flat angles C4'-P-C4' energy: -17.667
flat angles P-C4'-P energy: -11.471
tors. eta vs tors. theta energy: -8.240
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: 1
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -113.860783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.860783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.860783 (E_RNA)
where:
Base-Base interactions energy: -55.747
where: short stacking energy: -42.750
Base-Backbone interact. energy: -0.411
local terms energy: -57.702762
where:
bonds (distance) C4'-P energy: -12.995
bonds (distance) P-C4' energy: -20.657
flat angles C4'-P-C4' energy: -19.236
flat angles P-C4'-P energy: -1.033
tors. eta vs tors. theta energy: -3.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -119.801762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.801762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.801762 (E_RNA)
where:
Base-Base interactions energy: -45.491
where: short stacking energy: -42.502
Base-Backbone interact. energy: -0.444
local terms energy: -73.866103
where:
bonds (distance) C4'-P energy: -17.035
bonds (distance) P-C4' energy: -15.425
flat angles C4'-P-C4' energy: -20.647
flat angles P-C4'-P energy: -14.788
tors. eta vs tors. theta energy: -5.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -105.750177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.750177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.750177 (E_RNA)
where:
Base-Base interactions energy: -33.130
where: short stacking energy: -33.130
Base-Backbone interact. energy: -0.449
local terms energy: -72.170697
where:
bonds (distance) C4'-P energy: -16.912
bonds (distance) P-C4' energy: -19.802
flat angles C4'-P-C4' energy: -19.937
flat angles P-C4'-P energy: -13.909
tors. eta vs tors. theta energy: -1.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -327.522877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.522877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.522877 (E_RNA)
where:
Base-Base interactions energy: -214.164
where: short stacking energy: -96.808
Base-Backbone interact. energy: -0.452
local terms energy: -112.906831
where:
bonds (distance) C4'-P energy: -25.526
bonds (distance) P-C4' energy: -24.840
flat angles C4'-P-C4' energy: -21.105
flat angles P-C4'-P energy: -17.130
tors. eta vs tors. theta energy: -24.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -322.984935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.984935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.984935 (E_RNA)
where:
Base-Base interactions energy: -204.871
where: short stacking energy: -103.257
Base-Backbone interact. energy: 0.081
local terms energy: -118.194866
where:
bonds (distance) C4'-P energy: -23.096
bonds (distance) P-C4' energy: -22.970
flat angles C4'-P-C4' energy: -22.783
flat angles P-C4'-P energy: -18.912
tors. eta vs tors. theta energy: -30.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -287.612819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.612819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.612819 (E_RNA)
where:
Base-Base interactions energy: -185.932
where: short stacking energy: -93.318
Base-Backbone interact. energy: -0.691
local terms energy: -100.990481
where:
bonds (distance) C4'-P energy: -20.218
bonds (distance) P-C4' energy: -18.827
flat angles C4'-P-C4' energy: -25.661
flat angles P-C4'-P energy: -11.243
tors. eta vs tors. theta energy: -25.041
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: 2
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -283.209367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.209367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.209367 (E_RNA)
where:
Base-Base interactions energy: -178.595
where: short stacking energy: -79.904
Base-Backbone interact. energy: -0.079
local terms energy: -104.535614
where:
bonds (distance) C4'-P energy: -19.109
bonds (distance) P-C4' energy: -24.824
flat angles C4'-P-C4' energy: -23.237
flat angles P-C4'-P energy: -17.873
tors. eta vs tors. theta energy: -19.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -270.289648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.289648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.289648 (E_RNA)
where:
Base-Base interactions energy: -173.257
where: short stacking energy: -82.401
Base-Backbone interact. energy: 2.751
local terms energy: -99.783120
where:
bonds (distance) C4'-P energy: -22.318
bonds (distance) P-C4' energy: -25.598
flat angles C4'-P-C4' energy: -18.979
flat angles P-C4'-P energy: -15.295
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: 6, replica: 5
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -227.903095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.903095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.903095 (E_RNA)
where:
Base-Base interactions energy: -133.544
where: short stacking energy: -63.774
Base-Backbone interact. energy: -0.668
local terms energy: -93.690856
where:
bonds (distance) C4'-P energy: -15.604
bonds (distance) P-C4' energy: -23.663
flat angles C4'-P-C4' energy: -26.565
flat angles P-C4'-P energy: -10.983
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: 7, replica: 6
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -146.160973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.160973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.160973 (E_RNA)
where:
Base-Base interactions energy: -59.823
where: short stacking energy: -39.663
Base-Backbone interact. energy: -1.374
local terms energy: -84.963850
where:
bonds (distance) C4'-P energy: -18.369
bonds (distance) P-C4' energy: -24.613
flat angles C4'-P-C4' energy: -19.982
flat angles P-C4'-P energy: -12.204
tors. eta vs tors. theta energy: -9.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -124.390325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.390325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.390325 (E_RNA)
where:
Base-Base interactions energy: -44.383
where: short stacking energy: -44.269
Base-Backbone interact. energy: -0.470
local terms energy: -79.536724
where:
bonds (distance) C4'-P energy: -17.859
bonds (distance) P-C4' energy: -20.516
flat angles C4'-P-C4' energy: -21.938
flat angles P-C4'-P energy: -12.416
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: 9, replica: 1
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -125.124402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.124402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.124402 (E_RNA)
where:
Base-Base interactions energy: -59.486
where: short stacking energy: -42.274
Base-Backbone interact. energy: -0.248
local terms energy: -65.390235
where:
bonds (distance) C4'-P energy: -22.408
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -11.952
flat angles P-C4'-P energy: -12.013
tors. eta vs tors. theta energy: -1.501
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: 3
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -101.121088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.121088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.121088 (E_RNA)
where:
Base-Base interactions energy: -32.653
where: short stacking energy: -29.157
Base-Backbone interact. energy: -0.216
local terms energy: -68.252399
where:
bonds (distance) C4'-P energy: -16.336
bonds (distance) P-C4' energy: -20.779
flat angles C4'-P-C4' energy: -21.412
flat angles P-C4'-P energy: -10.887
tors. eta vs tors. theta energy: 1.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -319.398376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.398376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.398376 (E_RNA)
where:
Base-Base interactions energy: -204.859
where: short stacking energy: -98.525
Base-Backbone interact. energy: -0.342
local terms energy: -114.197973
where:
bonds (distance) C4'-P energy: -23.994
bonds (distance) P-C4' energy: -24.356
flat angles C4'-P-C4' energy: -22.794
flat angles P-C4'-P energy: -17.636
tors. eta vs tors. theta energy: -25.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -322.694011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.694011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.694011 (E_RNA)
where:
Base-Base interactions energy: -217.396
where: short stacking energy: -99.037
Base-Backbone interact. energy: -0.502
local terms energy: -104.795783
where:
bonds (distance) C4'-P energy: -18.411
bonds (distance) P-C4' energy: -25.251
flat angles C4'-P-C4' energy: -24.461
flat angles P-C4'-P energy: -17.938
tors. eta vs tors. theta energy: -18.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -307.756782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.756782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.756782 (E_RNA)
where:
Base-Base interactions energy: -202.840
where: short stacking energy: -96.979
Base-Backbone interact. energy: -0.137
local terms energy: -104.778984
where:
bonds (distance) C4'-P energy: -18.692
bonds (distance) P-C4' energy: -17.419
flat angles C4'-P-C4' energy: -25.018
flat angles P-C4'-P energy: -18.086
tors. eta vs tors. theta energy: -25.564
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: 4
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -278.998032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.998032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.998032 (E_RNA)
where:
Base-Base interactions energy: -186.144
where: short stacking energy: -73.170
Base-Backbone interact. energy: -0.229
local terms energy: -92.625165
where:
bonds (distance) C4'-P energy: -18.495
bonds (distance) P-C4' energy: -21.529
flat angles C4'-P-C4' energy: -20.987
flat angles P-C4'-P energy: -13.797
tors. eta vs tors. theta energy: -17.816
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: 18
Temperature: 1.100000
Total energy: -242.302040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.302040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.302040 (E_RNA)
where:
Base-Base interactions energy: -140.082
where: short stacking energy: -70.601
Base-Backbone interact. energy: -0.228
local terms energy: -101.992322
where:
bonds (distance) C4'-P energy: -23.602
bonds (distance) P-C4' energy: -14.981
flat angles C4'-P-C4' energy: -20.772
flat angles P-C4'-P energy: -18.512
tors. eta vs tors. theta energy: -24.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -260.392897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.392897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.392897 (E_RNA)
where:
Base-Base interactions energy: -164.577
where: short stacking energy: -75.234
Base-Backbone interact. energy: -0.390
local terms energy: -95.426213
where:
bonds (distance) C4'-P energy: -24.346
bonds (distance) P-C4' energy: -19.140
flat angles C4'-P-C4' energy: -21.573
flat angles P-C4'-P energy: -12.424
tors. eta vs tors. theta energy: -17.943
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: 7, replica: 6
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -140.412962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.412962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.412962 (E_RNA)
where:
Base-Base interactions energy: -61.328
where: short stacking energy: -54.764
Base-Backbone interact. energy: -0.028
local terms energy: -79.056918
where:
bonds (distance) C4'-P energy: -15.144
bonds (distance) P-C4' energy: -17.123
flat angles C4'-P-C4' energy: -7.998
flat angles P-C4'-P energy: -20.896
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: 8, replica: 7
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -126.057580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.057580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.057580 (E_RNA)
where:
Base-Base interactions energy: -52.623
where: short stacking energy: -38.474
Base-Backbone interact. energy: 1.080
local terms energy: -74.514560
where:
bonds (distance) C4'-P energy: -23.497
bonds (distance) P-C4' energy: -19.295
flat angles C4'-P-C4' energy: -19.215
flat angles P-C4'-P energy: -11.927
tors. eta vs tors. theta energy: -0.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -137.091839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.091839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.091839 (E_RNA)
where:
Base-Base interactions energy: -59.166
where: short stacking energy: -59.166
Base-Backbone interact. energy: 0.052
local terms energy: -77.978046
where:
bonds (distance) C4'-P energy: -20.938
bonds (distance) P-C4' energy: -16.201
flat angles C4'-P-C4' energy: -18.028
flat angles P-C4'-P energy: -12.315
tors. eta vs tors. theta energy: -10.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -109.880675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.880675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.880675 (E_RNA)
where:
Base-Base interactions energy: -39.812
where: short stacking energy: -30.871
Base-Backbone interact. energy: -0.426
local terms energy: -69.642372
where:
bonds (distance) C4'-P energy: -20.438
bonds (distance) P-C4' energy: -17.620
flat angles C4'-P-C4' energy: -19.419
flat angles P-C4'-P energy: -9.195
tors. eta vs tors. theta energy: -2.970
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: 10
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -325.112066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.112066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.112066 (E_RNA)
where:
Base-Base interactions energy: -200.761
where: short stacking energy: -96.403
Base-Backbone interact. energy: -0.170
local terms energy: -124.181611
where:
bonds (distance) C4'-P energy: -23.291
bonds (distance) P-C4' energy: -25.491
flat angles C4'-P-C4' energy: -27.112
flat angles P-C4'-P energy: -18.731
tors. eta vs tors. theta energy: -29.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -310.562214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.562214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.562214 (E_RNA)
where:
Base-Base interactions energy: -190.314
where: short stacking energy: -82.227
Base-Backbone interact. energy: -0.396
local terms energy: -119.852539
where:
bonds (distance) C4'-P energy: -25.207
bonds (distance) P-C4' energy: -25.207
flat angles C4'-P-C4' energy: -23.728
flat angles P-C4'-P energy: -17.024
tors. eta vs tors. theta energy: -28.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -306.740788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.740788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.740788 (E_RNA)
where:
Base-Base interactions energy: -201.118
where: short stacking energy: -93.607
Base-Backbone interact. energy: -0.095
local terms energy: -105.527705
where:
bonds (distance) C4'-P energy: -15.779
bonds (distance) P-C4' energy: -20.874
flat angles C4'-P-C4' energy: -24.549
flat angles P-C4'-P energy: -17.198
tors. eta vs tors. theta energy: -27.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -276.470018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.470018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.470018 (E_RNA)
where:
Base-Base interactions energy: -186.490
where: short stacking energy: -74.847
Base-Backbone interact. energy: -0.019
local terms energy: -89.961102
where:
bonds (distance) C4'-P energy: -16.985
bonds (distance) P-C4' energy: -19.538
flat angles C4'-P-C4' energy: -18.464
flat angles P-C4'-P energy: -11.940
tors. eta vs tors. theta energy: -23.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -265.948899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.948899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.948899 (E_RNA)
where:
Base-Base interactions energy: -169.851
where: short stacking energy: -75.765
Base-Backbone interact. energy: 0.049
local terms energy: -96.146359
where:
bonds (distance) C4'-P energy: -19.730
bonds (distance) P-C4' energy: -19.426
flat angles C4'-P-C4' energy: -22.463
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -23.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -278.947692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.947692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.947692 (E_RNA)
where:
Base-Base interactions energy: -186.502
where: short stacking energy: -74.219
Base-Backbone interact. energy: -0.210
local terms energy: -92.235208
where:
bonds (distance) C4'-P energy: -21.791
bonds (distance) P-C4' energy: -19.291
flat angles C4'-P-C4' energy: -19.592
flat angles P-C4'-P energy: -12.174
tors. eta vs tors. theta energy: -19.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -125.012873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.012873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.012873 (E_RNA)
where:
Base-Base interactions energy: -44.402
where: short stacking energy: -41.191
Base-Backbone interact. energy: 3.428
local terms energy: -84.038363
where:
bonds (distance) C4'-P energy: -17.072
bonds (distance) P-C4' energy: -21.753
flat angles C4'-P-C4' energy: -20.792
flat angles P-C4'-P energy: -16.230
tors. eta vs tors. theta energy: -8.191
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: 7
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -126.509474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.509474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.509474 (E_RNA)
where:
Base-Base interactions energy: -47.268
where: short stacking energy: -42.917
Base-Backbone interact. energy: -0.846
local terms energy: -78.394720
where:
bonds (distance) C4'-P energy: -20.148
bonds (distance) P-C4' energy: -21.115
flat angles C4'-P-C4' energy: -14.056
flat angles P-C4'-P energy: -15.811
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: 9, replica: 3
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -123.958816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.958816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.958816 (E_RNA)
where:
Base-Base interactions energy: -46.489
where: short stacking energy: -44.850
Base-Backbone interact. energy: -0.183
local terms energy: -77.286699
where:
bonds (distance) C4'-P energy: -18.198
bonds (distance) P-C4' energy: -20.616
flat angles C4'-P-C4' energy: -17.383
flat angles P-C4'-P energy: -16.627
tors. eta vs tors. theta energy: -4.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -119.521018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.521018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.521018 (E_RNA)
where:
Base-Base interactions energy: -41.481
where: short stacking energy: -26.422
Base-Backbone interact. energy: -0.148
local terms energy: -77.892259
where:
bonds (distance) C4'-P energy: -18.355
bonds (distance) P-C4' energy: -24.387
flat angles C4'-P-C4' energy: -15.604
flat angles P-C4'-P energy: -18.160
tors. eta vs tors. theta energy: -1.386
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: 1, replica: 8
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -311.955084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.955084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.955084 (E_RNA)
where:
Base-Base interactions energy: -203.677
where: short stacking energy: -91.052
Base-Backbone interact. energy: -0.715
local terms energy: -107.562932
where:
bonds (distance) C4'-P energy: -19.485
bonds (distance) P-C4' energy: -18.725
flat angles C4'-P-C4' energy: -25.623
flat angles P-C4'-P energy: -17.729
tors. eta vs tors. theta energy: -26.000
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: 10
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -312.682305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.682305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.682305 (E_RNA)
where:
Base-Base interactions energy: -210.303
where: short stacking energy: -98.487
Base-Backbone interact. energy: -0.247
local terms energy: -102.132473
where:
bonds (distance) C4'-P energy: -24.036
bonds (distance) P-C4' energy: -15.733
flat angles C4'-P-C4' energy: -24.060
flat angles P-C4'-P energy: -13.770
tors. eta vs tors. theta energy: -24.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -306.979310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.979310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.979310 (E_RNA)
where:
Base-Base interactions energy: -185.862
where: short stacking energy: -95.817
Base-Backbone interact. energy: -0.030
local terms energy: -121.086588
where:
bonds (distance) C4'-P energy: -24.330
bonds (distance) P-C4' energy: -20.018
flat angles C4'-P-C4' energy: -26.287
flat angles P-C4'-P energy: -20.203
tors. eta vs tors. theta energy: -30.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -281.039504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.039504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.039504 (E_RNA)
where:
Base-Base interactions energy: -181.818
where: short stacking energy: -78.278
Base-Backbone interact. energy: -0.648
local terms energy: -98.573793
where:
bonds (distance) C4'-P energy: -17.586
bonds (distance) P-C4' energy: -22.905
flat angles C4'-P-C4' energy: -24.395
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -23.760
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: 5, replica: 9
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -280.768874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.768874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.768874 (E_RNA)
where:
Base-Base interactions energy: -182.253
where: short stacking energy: -87.862
Base-Backbone interact. energy: -1.223
local terms energy: -97.292308
where:
bonds (distance) C4'-P energy: -20.354
bonds (distance) P-C4' energy: -22.223
flat angles C4'-P-C4' energy: -21.639
flat angles P-C4'-P energy: -10.734
tors. eta vs tors. theta energy: -22.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -270.689973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.689973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.689973 (E_RNA)
where:
Base-Base interactions energy: -173.465
where: short stacking energy: -81.440
Base-Backbone interact. energy: -0.138
local terms energy: -97.087228
where:
bonds (distance) C4'-P energy: -19.530
bonds (distance) P-C4' energy: -22.178
flat angles C4'-P-C4' energy: -20.175
flat angles P-C4'-P energy: -15.028
tors. eta vs tors. theta energy: -20.176
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: 7
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -135.228475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.228475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.228475 (E_RNA)
where:
Base-Base interactions energy: -63.413
where: short stacking energy: -46.390
Base-Backbone interact. energy: -0.100
local terms energy: -71.715677
where:
bonds (distance) C4'-P energy: -21.040
bonds (distance) P-C4' energy: -17.894
flat angles C4'-P-C4' energy: -21.206
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -2.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -111.587974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.587974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.587974 (E_RNA)
where:
Base-Base interactions energy: -49.281
where: short stacking energy: -20.213
Base-Backbone interact. energy: -0.647
local terms energy: -61.659348
where:
bonds (distance) C4'-P energy: -17.612
bonds (distance) P-C4' energy: -19.961
flat angles C4'-P-C4' energy: -18.959
flat angles P-C4'-P energy: -7.342
tors. eta vs tors. theta energy: 2.214
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: 9, replica: 1
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -135.478439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.478439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.478439 (E_RNA)
where:
Base-Base interactions energy: -49.607
where: short stacking energy: -41.963
Base-Backbone interact. energy: -0.058
local terms energy: -85.812733
where:
bonds (distance) C4'-P energy: -20.442
bonds (distance) P-C4' energy: -22.694
flat angles C4'-P-C4' energy: -19.947
flat angles P-C4'-P energy: -13.389
tors. eta vs tors. theta energy: -9.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -163.434308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.434308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.434308 (E_RNA)
where:
Base-Base interactions energy: -91.738
where: short stacking energy: -36.789
Base-Backbone interact. energy: -0.712
local terms energy: -70.984743
where:
bonds (distance) C4'-P energy: -15.268
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -19.599
flat angles P-C4'-P energy: -13.549
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: 21
Temperature: 0.900000
Total energy: -329.008253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.008253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.008253 (E_RNA)
where:
Base-Base interactions energy: -212.220
where: short stacking energy: -100.133
Base-Backbone interact. energy: -0.067
local terms energy: -116.720739
where:
bonds (distance) C4'-P energy: -23.955
bonds (distance) P-C4' energy: -18.648
flat angles C4'-P-C4' energy: -24.518
flat angles P-C4'-P energy: -19.641
tors. eta vs tors. theta energy: -29.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -319.328147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.328147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.328147 (E_RNA)
where:
Base-Base interactions energy: -211.410
where: short stacking energy: -103.650
Base-Backbone interact. energy: -0.832
local terms energy: -107.085987
where:
bonds (distance) C4'-P energy: -21.146
bonds (distance) P-C4' energy: -24.507
flat angles C4'-P-C4' energy: -16.884
flat angles P-C4'-P energy: -17.019
tors. eta vs tors. theta energy: -27.530
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: 2
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -298.798624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.798624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.798624 (E_RNA)
where:
Base-Base interactions energy: -207.439
where: short stacking energy: -93.256
Base-Backbone interact. energy: 1.498
local terms energy: -92.857149
where:
bonds (distance) C4'-P energy: -20.468
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -23.474
flat angles P-C4'-P energy: -10.815
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: 4, replica: 9
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -285.629826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.629826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.629826 (E_RNA)
where:
Base-Base interactions energy: -186.990
where: short stacking energy: -92.342
Base-Backbone interact. energy: -0.421
local terms energy: -98.218398
where:
bonds (distance) C4'-P energy: -24.359
bonds (distance) P-C4' energy: -20.487
flat angles C4'-P-C4' energy: -17.998
flat angles P-C4'-P energy: -12.951
tors. eta vs tors. theta energy: -22.424
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: 5
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -299.342653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.342653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.342653 (E_RNA)
where:
Base-Base interactions energy: -187.473
where: short stacking energy: -83.698
Base-Backbone interact. energy: -0.196
local terms energy: -111.672935
where:
bonds (distance) C4'-P energy: -20.079
bonds (distance) P-C4' energy: -25.896
flat angles C4'-P-C4' energy: -21.810
flat angles P-C4'-P energy: -18.126
tors. eta vs tors. theta energy: -25.762
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: 4
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -253.838879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.838879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.838879 (E_RNA)
where:
Base-Base interactions energy: -162.304
where: short stacking energy: -77.571
Base-Backbone interact. energy: -0.471
local terms energy: -91.063847
where:
bonds (distance) C4'-P energy: -14.891
bonds (distance) P-C4' energy: -23.236
flat angles C4'-P-C4' energy: -25.179
flat angles P-C4'-P energy: -17.116
tors. eta vs tors. theta energy: -10.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -140.203867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.203867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.203867 (E_RNA)
where:
Base-Base interactions energy: -57.342
where: short stacking energy: -55.039
Base-Backbone interact. energy: -0.084
local terms energy: -82.777867
where:
bonds (distance) C4'-P energy: -16.556
bonds (distance) P-C4' energy: -24.598
flat angles C4'-P-C4' energy: -16.479
flat angles P-C4'-P energy: -14.325
tors. eta vs tors. theta energy: -10.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -132.397278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.397278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.397278 (E_RNA)
where:
Base-Base interactions energy: -47.629
where: short stacking energy: -37.829
Base-Backbone interact. energy: -0.175
local terms energy: -84.593369
where:
bonds (distance) C4'-P energy: -20.805
bonds (distance) P-C4' energy: -18.365
flat angles C4'-P-C4' energy: -23.436
flat angles P-C4'-P energy: -14.855
tors. eta vs tors. theta energy: -7.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -111.184237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.184237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.184237 (E_RNA)
where:
Base-Base interactions energy: -49.505
where: short stacking energy: -36.608
Base-Backbone interact. energy: -0.385
local terms energy: -61.294219
where:
bonds (distance) C4'-P energy: -19.452
bonds (distance) P-C4' energy: -21.877
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -4.504
tors. eta vs tors. theta energy: -0.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -197.485154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.485154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.485154 (E_RNA)
where:
Base-Base interactions energy: -122.262
where: short stacking energy: -54.349
Base-Backbone interact. energy: -0.428
local terms energy: -74.795419
where:
bonds (distance) C4'-P energy: -17.442
bonds (distance) P-C4' energy: -19.260
flat angles C4'-P-C4' energy: -15.256
flat angles P-C4'-P energy: -11.089
tors. eta vs tors. theta energy: -11.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -317.687751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.687751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.687751 (E_RNA)
where:
Base-Base interactions energy: -201.671
where: short stacking energy: -109.609
Base-Backbone interact. energy: -0.094
local terms energy: -115.922568
where:
bonds (distance) C4'-P energy: -25.011
bonds (distance) P-C4' energy: -21.757
flat angles C4'-P-C4' energy: -24.756
flat angles P-C4'-P energy: -16.889
tors. eta vs tors. theta energy: -27.510
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: 10
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -327.520084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.520084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.520084 (E_RNA)
where:
Base-Base interactions energy: -214.597
where: short stacking energy: -97.336
Base-Backbone interact. energy: -0.756
local terms energy: -112.167413
where:
bonds (distance) C4'-P energy: -18.322
bonds (distance) P-C4' energy: -20.898
flat angles C4'-P-C4' energy: -23.848
flat angles P-C4'-P energy: -17.780
tors. eta vs tors. theta energy: -31.319
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: 2
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -306.590323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.590323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.590323 (E_RNA)
where:
Base-Base interactions energy: -196.126
where: short stacking energy: -82.130
Base-Backbone interact. energy: -0.187
local terms energy: -110.276701
where:
bonds (distance) C4'-P energy: -24.151
bonds (distance) P-C4' energy: -21.195
flat angles C4'-P-C4' energy: -25.991
flat angles P-C4'-P energy: -16.745
tors. eta vs tors. theta energy: -22.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -283.100057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.100057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.100057 (E_RNA)
where:
Base-Base interactions energy: -173.984
where: short stacking energy: -90.794
Base-Backbone interact. energy: -0.116
local terms energy: -108.999931
where:
bonds (distance) C4'-P energy: -19.533
bonds (distance) P-C4' energy: -19.804
flat angles C4'-P-C4' energy: -25.519
flat angles P-C4'-P energy: -20.132
tors. eta vs tors. theta energy: -24.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -306.662763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.662763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.662763 (E_RNA)
where:
Base-Base interactions energy: -200.502
where: short stacking energy: -103.172
Base-Backbone interact. energy: -0.020
local terms energy: -106.141309
where:
bonds (distance) C4'-P energy: -19.866
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -22.140
flat angles P-C4'-P energy: -15.834
tors. eta vs tors. theta energy: -32.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -265.514605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.514605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.514605 (E_RNA)
where:
Base-Base interactions energy: -159.635
where: short stacking energy: -77.647
Base-Backbone interact. energy: -0.371
local terms energy: -105.508718
where:
bonds (distance) C4'-P energy: -25.538
bonds (distance) P-C4' energy: -19.729
flat angles C4'-P-C4' energy: -23.540
flat angles P-C4'-P energy: -13.734
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: 7, replica: 1
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -130.817143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.817143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.817143 (E_RNA)
where:
Base-Base interactions energy: -42.853
where: short stacking energy: -33.399
Base-Backbone interact. energy: 1.106
local terms energy: -89.069865
where:
bonds (distance) C4'-P energy: -22.131
bonds (distance) P-C4' energy: -20.696
flat angles C4'-P-C4' energy: -26.150
flat angles P-C4'-P energy: -16.676
tors. eta vs tors. theta energy: -3.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -125.067098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.067098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.067098 (E_RNA)
where:
Base-Base interactions energy: -54.697
where: short stacking energy: -51.472
Base-Backbone interact. energy: -0.053
local terms energy: -70.316705
where:
bonds (distance) C4'-P energy: -20.542
bonds (distance) P-C4' energy: -24.843
flat angles C4'-P-C4' energy: -12.740
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -2.340
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: 3
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -243.747257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.747257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.747257 (E_RNA)
where:
Base-Base interactions energy: -155.623
where: short stacking energy: -66.445
Base-Backbone interact. energy: -0.263
local terms energy: -87.861043
where:
bonds (distance) C4'-P energy: -16.107
bonds (distance) P-C4' energy: -24.483
flat angles C4'-P-C4' energy: -21.874
flat angles P-C4'-P energy: -14.611
tors. eta vs tors. theta energy: -10.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -125.178731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.178731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.178731 (E_RNA)
where:
Base-Base interactions energy: -57.785
where: short stacking energy: -29.722
Base-Backbone interact. energy: 0.328
local terms energy: -67.722315
where:
bonds (distance) C4'-P energy: -18.010
bonds (distance) P-C4' energy: -20.723
flat angles C4'-P-C4' energy: -19.906
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: 1.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -303.623372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.623372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.623372 (E_RNA)
where:
Base-Base interactions energy: -198.496
where: short stacking energy: -99.599
Base-Backbone interact. energy: -0.001
local terms energy: -105.126002
where:
bonds (distance) C4'-P energy: -22.395
bonds (distance) P-C4' energy: -20.641
flat angles C4'-P-C4' energy: -22.131
flat angles P-C4'-P energy: -14.842
tors. eta vs tors. theta energy: -25.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -309.405947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.405947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.405947 (E_RNA)
where:
Base-Base interactions energy: -209.116
where: short stacking energy: -86.075
Base-Backbone interact. energy: -0.202
local terms energy: -100.088092
where:
bonds (distance) C4'-P energy: -23.413
bonds (distance) P-C4' energy: -23.091
flat angles C4'-P-C4' energy: -21.061
flat angles P-C4'-P energy: -13.064
tors. eta vs tors. theta energy: -19.459
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: 3, replica: 2
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -315.049944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.049944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.049944 (E_RNA)
where:
Base-Base interactions energy: -212.557
where: short stacking energy: -102.884
Base-Backbone interact. energy: -0.351
local terms energy: -102.142082
where:
bonds (distance) C4'-P energy: -23.717
bonds (distance) P-C4' energy: -21.846
flat angles C4'-P-C4' energy: -17.501
flat angles P-C4'-P energy: -13.154
tors. eta vs tors. theta energy: -25.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -308.488746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.488746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.488746 (E_RNA)
where:
Base-Base interactions energy: -189.388
where: short stacking energy: -84.486
Base-Backbone interact. energy: -0.006
local terms energy: -119.095046
where:
bonds (distance) C4'-P energy: -19.532
bonds (distance) P-C4' energy: -26.635
flat angles C4'-P-C4' energy: -26.076
flat angles P-C4'-P energy: -19.591
tors. eta vs tors. theta energy: -27.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -272.604111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.604111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.604111 (E_RNA)
where:
Base-Base interactions energy: -173.834
where: short stacking energy: -74.175
Base-Backbone interact. energy: -0.118
local terms energy: -98.652569
where:
bonds (distance) C4'-P energy: -18.572
bonds (distance) P-C4' energy: -24.630
flat angles C4'-P-C4' energy: -19.565
flat angles P-C4'-P energy: -16.113
tors. eta vs tors. theta energy: -19.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -254.269089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.269089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.269089 (E_RNA)
where:
Base-Base interactions energy: -163.733
where: short stacking energy: -87.367
Base-Backbone interact. energy: -0.771
local terms energy: -89.765383
where:
bonds (distance) C4'-P energy: -13.211
bonds (distance) P-C4' energy: -12.403
flat angles C4'-P-C4' energy: -22.430
flat angles P-C4'-P energy: -14.573
tors. eta vs tors. theta energy: -27.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -161.417286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.417286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.417286 (E_RNA)
where:
Base-Base interactions energy: -79.553
where: short stacking energy: -36.606
Base-Backbone interact. energy: -0.343
local terms energy: -81.521837
where:
bonds (distance) C4'-P energy: -19.888
bonds (distance) P-C4' energy: -24.247
flat angles C4'-P-C4' energy: -20.207
flat angles P-C4'-P energy: -11.488
tors. eta vs tors. theta energy: -5.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -251.357726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.357726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.357726 (E_RNA)
where:
Base-Base interactions energy: -156.408
where: short stacking energy: -61.243
Base-Backbone interact. energy: -0.576
local terms energy: -94.374215
where:
bonds (distance) C4'-P energy: -21.200
bonds (distance) P-C4' energy: -19.317
flat angles C4'-P-C4' energy: -22.456
flat angles P-C4'-P energy: -15.363
tors. eta vs tors. theta energy: -16.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -107.737688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.737688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.737688 (E_RNA)
where:
Base-Base interactions energy: -33.679
where: short stacking energy: -29.827
Base-Backbone interact. energy: -0.704
local terms energy: -73.355158
where:
bonds (distance) C4'-P energy: -20.331
bonds (distance) P-C4' energy: -22.412
flat angles C4'-P-C4' energy: -21.299
flat angles P-C4'-P energy: -5.685
tors. eta vs tors. theta energy: -3.628
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: 6
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -109.399506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.399506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.399506 (E_RNA)
where:
Base-Base interactions energy: -50.080
where: short stacking energy: -43.201
Base-Backbone interact. energy: -1.475
local terms energy: -57.844007
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -20.026
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -0.429
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: 8
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -310.760523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.760523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.760523 (E_RNA)
where:
Base-Base interactions energy: -199.304
where: short stacking energy: -104.035
Base-Backbone interact. energy: -1.167
local terms energy: -110.289553
where:
bonds (distance) C4'-P energy: -19.770
bonds (distance) P-C4' energy: -20.969
flat angles C4'-P-C4' energy: -24.782
flat angles P-C4'-P energy: -16.427
tors. eta vs tors. theta energy: -28.341
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: 10
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -304.512473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.512473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.512473 (E_RNA)
where:
Base-Base interactions energy: -200.304
where: short stacking energy: -105.344
Base-Backbone interact. energy: -0.172
local terms energy: -104.036734
where:
bonds (distance) C4'-P energy: -15.324
bonds (distance) P-C4' energy: -22.310
flat angles C4'-P-C4' energy: -22.281
flat angles P-C4'-P energy: -16.510
tors. eta vs tors. theta energy: -27.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -299.395830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.395830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.395830 (E_RNA)
where:
Base-Base interactions energy: -188.421
where: short stacking energy: -106.101
Base-Backbone interact. energy: -0.228
local terms energy: -110.747157
where:
bonds (distance) C4'-P energy: -19.354
bonds (distance) P-C4' energy: -23.196
flat angles C4'-P-C4' energy: -26.437
flat angles P-C4'-P energy: -17.365
tors. eta vs tors. theta energy: -24.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -314.564715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.564715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.564715 (E_RNA)
where:
Base-Base interactions energy: -206.299
where: short stacking energy: -94.599
Base-Backbone interact. energy: -0.001
local terms energy: -108.264497
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -26.361
flat angles C4'-P-C4' energy: -22.340
flat angles P-C4'-P energy: -13.074
tors. eta vs tors. theta energy: -33.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -273.377605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.377605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.377605 (E_RNA)
where:
Base-Base interactions energy: -171.645
where: short stacking energy: -79.963
Base-Backbone interact. energy: -0.518
local terms energy: -101.215250
where:
bonds (distance) C4'-P energy: -25.340
bonds (distance) P-C4' energy: -19.933
flat angles C4'-P-C4' energy: -19.132
flat angles P-C4'-P energy: -17.439
tors. eta vs tors. theta energy: -19.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -272.723578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.723578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.723578 (E_RNA)
where:
Base-Base interactions energy: -177.290
where: short stacking energy: -70.135
Base-Backbone interact. energy: -0.201
local terms energy: -95.232795
where:
bonds (distance) C4'-P energy: -20.935
bonds (distance) P-C4' energy: -25.145
flat angles C4'-P-C4' energy: -18.320
flat angles P-C4'-P energy: -10.131
tors. eta vs tors. theta energy: -20.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -256.256286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.256286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.256286 (E_RNA)
where:
Base-Base interactions energy: -165.398
where: short stacking energy: -72.446
Base-Backbone interact. energy: -0.212
local terms energy: -90.646243
where:
bonds (distance) C4'-P energy: -17.813
bonds (distance) P-C4' energy: -25.326
flat angles C4'-P-C4' energy: -13.534
flat angles P-C4'-P energy: -10.435
tors. eta vs tors. theta energy: -23.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -155.038943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.038943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.038943 (E_RNA)
where:
Base-Base interactions energy: -75.651
where: short stacking energy: -45.267
Base-Backbone interact. energy: 0.306
local terms energy: -79.694273
where:
bonds (distance) C4'-P energy: -18.686
bonds (distance) P-C4' energy: -15.819
flat angles C4'-P-C4' energy: -21.617
flat angles P-C4'-P energy: -18.110
tors. eta vs tors. theta energy: -5.463
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: 9, replica: 6
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -109.514501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.514501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.514501 (E_RNA)
where:
Base-Base interactions energy: -41.852
where: short stacking energy: -38.285
Base-Backbone interact. energy: 0.188
local terms energy: -67.849775
where:
bonds (distance) C4'-P energy: -20.480
bonds (distance) P-C4' energy: -21.342
flat angles C4'-P-C4' energy: -17.928
flat angles P-C4'-P energy: -6.768
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: 10, replica: 7
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -101.850817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.850817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.850817 (E_RNA)
where:
Base-Base interactions energy: -30.542
where: short stacking energy: -29.441
Base-Backbone interact. energy: -0.234
local terms energy: -71.074887
where:
bonds (distance) C4'-P energy: -17.350
bonds (distance) P-C4' energy: -24.010
flat angles C4'-P-C4' energy: -19.902
flat angles P-C4'-P energy: -7.312
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: 1, replica: 8
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -316.522592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.522592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.522592 (E_RNA)
where:
Base-Base interactions energy: -199.067
where: short stacking energy: -101.668
Base-Backbone interact. energy: -0.117
local terms energy: -117.339295
where:
bonds (distance) C4'-P energy: -24.445
bonds (distance) P-C4' energy: -22.897
flat angles C4'-P-C4' energy: -24.502
flat angles P-C4'-P energy: -17.412
tors. eta vs tors. theta energy: -28.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -310.015233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.015233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.015233 (E_RNA)
where:
Base-Base interactions energy: -197.189
where: short stacking energy: -107.731
Base-Backbone interact. energy: -0.075
local terms energy: -112.750308
where:
bonds (distance) C4'-P energy: -20.292
bonds (distance) P-C4' energy: -20.621
flat angles C4'-P-C4' energy: -24.391
flat angles P-C4'-P energy: -17.803
tors. eta vs tors. theta energy: -29.643
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: 10
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -279.951112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.951112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.951112 (E_RNA)
where:
Base-Base interactions energy: -178.355
where: short stacking energy: -86.416
Base-Backbone interact. energy: -0.154
local terms energy: -101.441370
where:
bonds (distance) C4'-P energy: -19.688
bonds (distance) P-C4' energy: -24.309
flat angles C4'-P-C4' energy: -18.881
flat angles P-C4'-P energy: -16.966
tors. eta vs tors. theta energy: -21.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -286.875302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.875302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.875302 (E_RNA)
where:
Base-Base interactions energy: -185.534
where: short stacking energy: -73.109
Base-Backbone interact. energy: -0.131
local terms energy: -101.210797
where:
bonds (distance) C4'-P energy: -23.732
bonds (distance) P-C4' energy: -22.930
flat angles C4'-P-C4' energy: -23.094
flat angles P-C4'-P energy: -13.130
tors. eta vs tors. theta energy: -18.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -294.873165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.873165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.873165 (E_RNA)
where:
Base-Base interactions energy: -193.767
where: short stacking energy: -81.345
Base-Backbone interact. energy: -0.501
local terms energy: -100.605507
where:
bonds (distance) C4'-P energy: -21.883
bonds (distance) P-C4' energy: -12.747
flat angles C4'-P-C4' energy: -22.691
flat angles P-C4'-P energy: -16.529
tors. eta vs tors. theta energy: -26.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -268.559120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.559120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.559120 (E_RNA)
where:
Base-Base interactions energy: -164.478
where: short stacking energy: -80.322
Base-Backbone interact. energy: -0.174
local terms energy: -103.907297
where:
bonds (distance) C4'-P energy: -23.647
bonds (distance) P-C4' energy: -23.046
flat angles C4'-P-C4' energy: -21.039
flat angles P-C4'-P energy: -15.914
tors. eta vs tors. theta energy: -20.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -245.949604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.949604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.949604 (E_RNA)
where:
Base-Base interactions energy: -156.895
where: short stacking energy: -71.963
Base-Backbone interact. energy: -0.250
local terms energy: -88.803938
where:
bonds (distance) C4'-P energy: -20.668
bonds (distance) P-C4' energy: -18.279
flat angles C4'-P-C4' energy: -21.057
flat angles P-C4'-P energy: -14.445
tors. eta vs tors. theta energy: -14.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -129.548696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.548696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.548696 (E_RNA)
where:
Base-Base interactions energy: -47.782
where: short stacking energy: -42.144
Base-Backbone interact. energy: -0.231
local terms energy: -81.535394
where:
bonds (distance) C4'-P energy: -21.191
bonds (distance) P-C4' energy: -23.750
flat angles C4'-P-C4' energy: -17.193
flat angles P-C4'-P energy: -11.944
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: 1
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -127.539872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.539872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.539872 (E_RNA)
where:
Base-Base interactions energy: -52.779
where: short stacking energy: -43.471
Base-Backbone interact. energy: -0.355
local terms energy: -74.405873
where:
bonds (distance) C4'-P energy: -15.856
bonds (distance) P-C4' energy: -23.225
flat angles C4'-P-C4' energy: -18.238
flat angles P-C4'-P energy: -13.017
tors. eta vs tors. theta energy: -4.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -107.346100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.346100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.346100 (E_RNA)
where:
Base-Base interactions energy: -32.657
where: short stacking energy: -31.880
Base-Backbone interact. energy: -0.169
local terms energy: -74.519713
where:
bonds (distance) C4'-P energy: -17.655
bonds (distance) P-C4' energy: -24.789
flat angles C4'-P-C4' energy: -18.638
flat angles P-C4'-P energy: -10.417
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: 1, replica: 2
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -321.490015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.490015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.490015 (E_RNA)
where:
Base-Base interactions energy: -208.029
where: short stacking energy: -96.283
Base-Backbone interact. energy: -0.147
local terms energy: -113.313788
where:
bonds (distance) C4'-P energy: -21.026
bonds (distance) P-C4' energy: -24.753
flat angles C4'-P-C4' energy: -22.605
flat angles P-C4'-P energy: -16.888
tors. eta vs tors. theta energy: -28.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -321.112002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.112002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.112002 (E_RNA)
where:
Base-Base interactions energy: -197.661
where: short stacking energy: -109.185
Base-Backbone interact. energy: -0.136
local terms energy: -123.314521
where:
bonds (distance) C4'-P energy: -24.317
bonds (distance) P-C4' energy: -21.939
flat angles C4'-P-C4' energy: -25.931
flat angles P-C4'-P energy: -16.346
tors. eta vs tors. theta energy: -34.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -287.532690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.532690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.532690 (E_RNA)
where:
Base-Base interactions energy: -185.086
where: short stacking energy: -86.371
Base-Backbone interact. energy: -0.141
local terms energy: -102.306018
where:
bonds (distance) C4'-P energy: -20.470
bonds (distance) P-C4' energy: -23.739
flat angles C4'-P-C4' energy: -21.206
flat angles P-C4'-P energy: -15.545
tors. eta vs tors. theta energy: -21.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -275.258657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.258657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.258657 (E_RNA)
where:
Base-Base interactions energy: -170.336
where: short stacking energy: -82.293
Base-Backbone interact. energy: 1.580
local terms energy: -106.502336
where:
bonds (distance) C4'-P energy: -19.714
bonds (distance) P-C4' energy: -23.507
flat angles C4'-P-C4' energy: -27.534
flat angles P-C4'-P energy: -16.454
tors. eta vs tors. theta energy: -19.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -338.356139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.356139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.356139 (E_RNA)
where:
Base-Base interactions energy: -235.273
where: short stacking energy: -103.709
Base-Backbone interact. energy: -0.042
local terms energy: -103.040884
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -19.659
flat angles C4'-P-C4' energy: -22.256
flat angles P-C4'-P energy: -13.467
tors. eta vs tors. theta energy: -30.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -254.710371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.710371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.710371 (E_RNA)
where:
Base-Base interactions energy: -164.094
where: short stacking energy: -77.397
Base-Backbone interact. energy: -0.608
local terms energy: -90.008977
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -19.528
flat angles C4'-P-C4' energy: -19.962
flat angles P-C4'-P energy: -17.099
tors. eta vs tors. theta energy: -18.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -253.766804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.766804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.766804 (E_RNA)
where:
Base-Base interactions energy: -151.164
where: short stacking energy: -69.909
Base-Backbone interact. energy: -0.243
local terms energy: -102.360109
where:
bonds (distance) C4'-P energy: -24.548
bonds (distance) P-C4' energy: -22.707
flat angles C4'-P-C4' energy: -23.808
flat angles P-C4'-P energy: -15.860
tors. eta vs tors. theta energy: -15.437
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: 8, replica: 6
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -137.308937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.308937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.308937 (E_RNA)
where:
Base-Base interactions energy: -50.084
where: short stacking energy: -40.634
Base-Backbone interact. energy: -0.017
local terms energy: -87.208737
where:
bonds (distance) C4'-P energy: -22.988
bonds (distance) P-C4' energy: -20.912
flat angles C4'-P-C4' energy: -19.156
flat angles P-C4'-P energy: -17.895
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: 9, replica: 7
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -119.934000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.934000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.934000 (E_RNA)
where:
Base-Base interactions energy: -38.039
where: short stacking energy: -36.714
Base-Backbone interact. energy: -0.011
local terms energy: -81.884502
where:
bonds (distance) C4'-P energy: -20.943
bonds (distance) P-C4' energy: -23.720
flat angles C4'-P-C4' energy: -18.641
flat angles P-C4'-P energy: -13.960
tors. eta vs tors. theta energy: -4.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -117.719986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.719986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.719986 (E_RNA)
where:
Base-Base interactions energy: -45.253
where: short stacking energy: -36.133
Base-Backbone interact. energy: -0.831
local terms energy: -71.636601
where:
bonds (distance) C4'-P energy: -17.701
bonds (distance) P-C4' energy: -22.347
flat angles C4'-P-C4' energy: -18.754
flat angles P-C4'-P energy: -9.218
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: 27
Temperature: 0.900000
Total energy: -338.532771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.532771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.532771 (E_RNA)
where:
Base-Base interactions energy: -220.092
where: short stacking energy: -105.409
Base-Backbone interact. energy: -0.036
local terms energy: -118.404642
where:
bonds (distance) C4'-P energy: -24.493
bonds (distance) P-C4' energy: -24.916
flat angles C4'-P-C4' energy: -22.169
flat angles P-C4'-P energy: -16.670
tors. eta vs tors. theta energy: -30.157
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: 27
Temperature: 0.950000
Total energy: -315.374292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.374292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.374292 (E_RNA)
where:
Base-Base interactions energy: -210.059
where: short stacking energy: -105.293
Base-Backbone interact. energy: -0.015
local terms energy: -105.301059
where:
bonds (distance) C4'-P energy: -18.440
bonds (distance) P-C4' energy: -20.915
flat angles C4'-P-C4' energy: -16.361
flat angles P-C4'-P energy: -19.219
tors. eta vs tors. theta energy: -30.368
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: 10
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -293.622892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.622892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.622892 (E_RNA)
where:
Base-Base interactions energy: -194.106
where: short stacking energy: -98.037
Base-Backbone interact. energy: -0.528
local terms energy: -98.988778
where:
bonds (distance) C4'-P energy: -18.520
bonds (distance) P-C4' energy: -23.367
flat angles C4'-P-C4' energy: -22.352
flat angles P-C4'-P energy: -11.088
tors. eta vs tors. theta energy: -23.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -349.906280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.906280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.906280 (E_RNA)
where:
Base-Base interactions energy: -232.754
where: short stacking energy: -104.783
Base-Backbone interact. energy: -0.307
local terms energy: -116.844949
where:
bonds (distance) C4'-P energy: -17.217
bonds (distance) P-C4' energy: -26.999
flat angles C4'-P-C4' energy: -20.358
flat angles P-C4'-P energy: -18.190
tors. eta vs tors. theta energy: -34.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -281.931954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.931954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.931954 (E_RNA)
where:
Base-Base interactions energy: -175.561
where: short stacking energy: -71.400
Base-Backbone interact. energy: 0.157
local terms energy: -106.528250
where:
bonds (distance) C4'-P energy: -22.888
bonds (distance) P-C4' energy: -23.869
flat angles C4'-P-C4' energy: -21.933
flat angles P-C4'-P energy: -16.821
tors. eta vs tors. theta energy: -21.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -255.381372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.381372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.381372 (E_RNA)
where:
Base-Base interactions energy: -152.347
where: short stacking energy: -84.718
Base-Backbone interact. energy: -0.937
local terms energy: -102.096794
where:
bonds (distance) C4'-P energy: -21.393
bonds (distance) P-C4' energy: -25.340
flat angles C4'-P-C4' energy: -20.462
flat angles P-C4'-P energy: -15.180
tors. eta vs tors. theta energy: -19.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -227.627740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.627740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.627740 (E_RNA)
where:
Base-Base interactions energy: -135.655
where: short stacking energy: -54.573
Base-Backbone interact. energy: 0.157
local terms energy: -92.129136
where:
bonds (distance) C4'-P energy: -21.475
bonds (distance) P-C4' energy: -24.841
flat angles C4'-P-C4' energy: -24.375
flat angles P-C4'-P energy: -12.479
tors. eta vs tors. theta energy: -8.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -133.739349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.739349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.739349 (E_RNA)
where:
Base-Base interactions energy: -50.329
where: short stacking energy: -45.058
Base-Backbone interact. energy: -0.643
local terms energy: -82.766816
where:
bonds (distance) C4'-P energy: -19.496
bonds (distance) P-C4' energy: -23.453
flat angles C4'-P-C4' energy: -18.457
flat angles P-C4'-P energy: -13.514
tors. eta vs tors. theta energy: -7.848
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: 9, replica: 6
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -127.116359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.116359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.116359 (E_RNA)
where:
Base-Base interactions energy: -52.874
where: short stacking energy: -27.565
Base-Backbone interact. energy: 0.317
local terms energy: -74.559342
where:
bonds (distance) C4'-P energy: -21.669
bonds (distance) P-C4' energy: -20.303
flat angles C4'-P-C4' energy: -21.730
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: 0.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -108.495242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.495242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.495242 (E_RNA)
where:
Base-Base interactions energy: -42.828
where: short stacking energy: -42.828
Base-Backbone interact. energy: -0.106
local terms energy: -65.561761
where:
bonds (distance) C4'-P energy: -14.358
bonds (distance) P-C4' energy: -18.405
flat angles C4'-P-C4' energy: -18.857
flat angles P-C4'-P energy: -6.735
tors. eta vs tors. theta energy: -7.206
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: 28
Temperature: 0.900000
Total energy: -317.558101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.558101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.558101 (E_RNA)
where:
Base-Base interactions energy: -202.586
where: short stacking energy: -110.031
Base-Backbone interact. energy: -0.059
local terms energy: -114.912959
where:
bonds (distance) C4'-P energy: -19.266
bonds (distance) P-C4' energy: -19.629
flat angles C4'-P-C4' energy: -25.648
flat angles P-C4'-P energy: -19.631
tors. eta vs tors. theta energy: -30.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -314.899857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.899857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.899857 (E_RNA)
where:
Base-Base interactions energy: -208.562
where: short stacking energy: -99.980
Base-Backbone interact. energy: -0.192
local terms energy: -106.145361
where:
bonds (distance) C4'-P energy: -20.427
bonds (distance) P-C4' energy: -22.445
flat angles C4'-P-C4' energy: -18.104
flat angles P-C4'-P energy: -17.919
tors. eta vs tors. theta energy: -27.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -341.554527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.554527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.554527 (E_RNA)
where:
Base-Base interactions energy: -224.307
where: short stacking energy: -106.461
Base-Backbone interact. energy: -0.160
local terms energy: -117.087011
where:
bonds (distance) C4'-P energy: -25.286
bonds (distance) P-C4' energy: -20.303
flat angles C4'-P-C4' energy: -22.240
flat angles P-C4'-P energy: -16.759
tors. eta vs tors. theta energy: -32.499
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: 10
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -297.237633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.237633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.237633 (E_RNA)
where:
Base-Base interactions energy: -188.122
where: short stacking energy: -90.367
Base-Backbone interact. energy: -0.040
local terms energy: -109.075850
where:
bonds (distance) C4'-P energy: -24.143
bonds (distance) P-C4' energy: -24.802
flat angles C4'-P-C4' energy: -24.871
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: -24.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -295.950850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.950850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.950850 (E_RNA)
where:
Base-Base interactions energy: -193.974
where: short stacking energy: -87.399
Base-Backbone interact. energy: -0.515
local terms energy: -101.461707
where:
bonds (distance) C4'-P energy: -20.750
bonds (distance) P-C4' energy: -20.647
flat angles C4'-P-C4' energy: -19.785
flat angles P-C4'-P energy: -17.926
tors. eta vs tors. theta energy: -22.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -278.221956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.221956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.221956 (E_RNA)
where:
Base-Base interactions energy: -188.852
where: short stacking energy: -82.849
Base-Backbone interact. energy: 0.033
local terms energy: -89.403023
where:
bonds (distance) C4'-P energy: -18.336
bonds (distance) P-C4' energy: -19.513
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -24.290
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: 4
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -243.280080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.280080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.280080 (E_RNA)
where:
Base-Base interactions energy: -157.459
where: short stacking energy: -66.517
Base-Backbone interact. energy: -0.578
local terms energy: -85.243205
where:
bonds (distance) C4'-P energy: -18.166
bonds (distance) P-C4' energy: -18.586
flat angles C4'-P-C4' energy: -22.033
flat angles P-C4'-P energy: -13.175
tors. eta vs tors. theta energy: -13.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -121.020430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.020430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.020430 (E_RNA)
where:
Base-Base interactions energy: -52.840
where: short stacking energy: -52.840
Base-Backbone interact. energy: -0.524
local terms energy: -67.656237
where:
bonds (distance) C4'-P energy: -15.714
bonds (distance) P-C4' energy: -22.015
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -12.369
tors. eta vs tors. theta energy: -2.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -111.276055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.276055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.276055 (E_RNA)
where:
Base-Base interactions energy: -44.271
where: short stacking energy: -24.345
Base-Backbone interact. energy: -0.908
local terms energy: -66.097018
where:
bonds (distance) C4'-P energy: -25.104
bonds (distance) P-C4' energy: -21.861
flat angles C4'-P-C4' energy: -13.494
flat angles P-C4'-P energy: -10.504
tors. eta vs tors. theta energy: 4.866
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: 6
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -123.263110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.263110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.263110 (E_RNA)
where:
Base-Base interactions energy: -61.734
where: short stacking energy: -43.559
Base-Backbone interact. energy: 0.952
local terms energy: -62.481227
where:
bonds (distance) C4'-P energy: -17.202
bonds (distance) P-C4' energy: -13.682
flat angles C4'-P-C4' energy: -16.235
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -5.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -317.014446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.014446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.014446 (E_RNA)
where:
Base-Base interactions energy: -204.658
where: short stacking energy: -93.036
Base-Backbone interact. energy: -0.408
local terms energy: -111.947911
where:
bonds (distance) C4'-P energy: -26.672
bonds (distance) P-C4' energy: -21.956
flat angles C4'-P-C4' energy: -19.621
flat angles P-C4'-P energy: -19.146
tors. eta vs tors. theta energy: -24.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -350.846972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.846972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.846972 (E_RNA)
where:
Base-Base interactions energy: -237.566
where: short stacking energy: -108.037
Base-Backbone interact. energy: -0.011
local terms energy: -113.269786
where:
bonds (distance) C4'-P energy: -19.674
bonds (distance) P-C4' energy: -22.898
flat angles C4'-P-C4' energy: -23.525
flat angles P-C4'-P energy: -18.719
tors. eta vs tors. theta energy: -28.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -285.694825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.694825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.694825 (E_RNA)
where:
Base-Base interactions energy: -184.656
where: short stacking energy: -75.649
Base-Backbone interact. energy: 0.037
local terms energy: -101.075291
where:
bonds (distance) C4'-P energy: -23.741
bonds (distance) P-C4' energy: -23.793
flat angles C4'-P-C4' energy: -22.305
flat angles P-C4'-P energy: -11.356
tors. eta vs tors. theta energy: -19.881
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: 4, replica: 9
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -316.340820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.340820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.340820 (E_RNA)
where:
Base-Base interactions energy: -203.252
where: short stacking energy: -92.619
Base-Backbone interact. energy: -0.601
local terms energy: -112.487285
where:
bonds (distance) C4'-P energy: -24.221
bonds (distance) P-C4' energy: -25.962
flat angles C4'-P-C4' energy: -22.687
flat angles P-C4'-P energy: -14.504
tors. eta vs tors. theta energy: -25.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -282.562237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.562237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.562237 (E_RNA)
where:
Base-Base interactions energy: -181.434
where: short stacking energy: -94.792
Base-Backbone interact. energy: -0.675
local terms energy: -100.453540
where:
bonds (distance) C4'-P energy: -16.677
bonds (distance) P-C4' energy: -17.830
flat angles C4'-P-C4' energy: -21.161
flat angles P-C4'-P energy: -16.914
tors. eta vs tors. theta energy: -27.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -272.245300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.245300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.245300 (E_RNA)
where:
Base-Base interactions energy: -176.046
where: short stacking energy: -76.221
Base-Backbone interact. energy: -0.130
local terms energy: -96.069816
where:
bonds (distance) C4'-P energy: -16.456
bonds (distance) P-C4' energy: -25.541
flat angles C4'-P-C4' energy: -20.279
flat angles P-C4'-P energy: -12.237
tors. eta vs tors. theta energy: -21.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -254.838245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.838245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.838245 (E_RNA)
where:
Base-Base interactions energy: -165.472
where: short stacking energy: -75.920
Base-Backbone interact. energy: -0.817
local terms energy: -88.549390
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -21.235
flat angles C4'-P-C4' energy: -21.337
flat angles P-C4'-P energy: -8.105
tors. eta vs tors. theta energy: -21.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -123.176836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.176836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.176836 (E_RNA)
where:
Base-Base interactions energy: -55.603
where: short stacking energy: -34.160
Base-Backbone interact. energy: -0.229
local terms energy: -67.344523
where:
bonds (distance) C4'-P energy: -20.765
bonds (distance) P-C4' energy: -19.215
flat angles C4'-P-C4' energy: -20.251
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: 3.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -115.089069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.089069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.089069 (E_RNA)
where:
Base-Base interactions energy: -51.133
where: short stacking energy: -27.261
Base-Backbone interact. energy: -0.544
local terms energy: -63.411807
where:
bonds (distance) C4'-P energy: -23.800
bonds (distance) P-C4' energy: -22.188
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -11.668
tors. eta vs tors. theta energy: 7.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -124.422409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.422409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.422409 (E_RNA)
where:
Base-Base interactions energy: -61.144
where: short stacking energy: -47.548
Base-Backbone interact. energy: -0.470
local terms energy: -62.808650
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -20.500
flat angles C4'-P-C4' energy: -12.306
flat angles P-C4'-P energy: -11.994
tors. eta vs tors. theta energy: -2.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -369.549436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.549436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.549436 (E_RNA)
where:
Base-Base interactions energy: -249.014
where: short stacking energy: -110.128
Base-Backbone interact. energy: -0.503
local terms energy: -120.032200
where:
bonds (distance) C4'-P energy: -21.507
bonds (distance) P-C4' energy: -27.731
flat angles C4'-P-C4' energy: -25.175
flat angles P-C4'-P energy: -12.732
tors. eta vs tors. theta energy: -32.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -314.856545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.856545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.856545 (E_RNA)
where:
Base-Base interactions energy: -201.897
where: short stacking energy: -105.918
Base-Backbone interact. energy: -0.588
local terms energy: -112.370900
where:
bonds (distance) C4'-P energy: -18.243
bonds (distance) P-C4' energy: -19.584
flat angles C4'-P-C4' energy: -25.879
flat angles P-C4'-P energy: -18.754
tors. eta vs tors. theta energy: -29.910
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: 9
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -302.587642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.587642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.587642 (E_RNA)
where:
Base-Base interactions energy: -195.768
where: short stacking energy: -81.533
Base-Backbone interact. energy: -0.765
local terms energy: -106.054178
where:
bonds (distance) C4'-P energy: -23.157
bonds (distance) P-C4' energy: -21.392
flat angles C4'-P-C4' energy: -23.009
flat angles P-C4'-P energy: -15.624
tors. eta vs tors. theta energy: -22.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -297.687052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.687052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.687052 (E_RNA)
where:
Base-Base interactions energy: -201.127
where: short stacking energy: -92.914
Base-Backbone interact. energy: 0.591
local terms energy: -97.151098
where:
bonds (distance) C4'-P energy: -16.115
bonds (distance) P-C4' energy: -22.557
flat angles C4'-P-C4' energy: -20.713
flat angles P-C4'-P energy: -15.428
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: 5, replica: 3
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -291.088762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.088762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.088762 (E_RNA)
where:
Base-Base interactions energy: -178.572
where: short stacking energy: -90.719
Base-Backbone interact. energy: -0.360
local terms energy: -112.156529
where:
bonds (distance) C4'-P energy: -22.231
bonds (distance) P-C4' energy: -20.707
flat angles C4'-P-C4' energy: -22.968
flat angles P-C4'-P energy: -17.027
tors. eta vs tors. theta energy: -29.224
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: 30
Temperature: 1.150000
Total energy: -270.119508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.119508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.119508 (E_RNA)
where:
Base-Base interactions energy: -176.887
where: short stacking energy: -88.087
Base-Backbone interact. energy: -0.207
local terms energy: -93.025445
where:
bonds (distance) C4'-P energy: -18.528
bonds (distance) P-C4' energy: -17.068
flat angles C4'-P-C4' energy: -22.991
flat angles P-C4'-P energy: -11.952
tors. eta vs tors. theta energy: -22.487
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: 4
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -239.686625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.686625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.686625 (E_RNA)
where:
Base-Base interactions energy: -148.291
where: short stacking energy: -70.015
Base-Backbone interact. energy: -0.102
local terms energy: -91.293397
where:
bonds (distance) C4'-P energy: -20.534
bonds (distance) P-C4' energy: -23.194
flat angles C4'-P-C4' energy: -20.473
flat angles P-C4'-P energy: -12.425
tors. eta vs tors. theta energy: -14.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -120.085245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.085245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.085245 (E_RNA)
where:
Base-Base interactions energy: -47.859
where: short stacking energy: -42.904
Base-Backbone interact. energy: -0.468
local terms energy: -71.759007
where:
bonds (distance) C4'-P energy: -14.875
bonds (distance) P-C4' energy: -24.783
flat angles C4'-P-C4' energy: -17.587
flat angles P-C4'-P energy: -10.286
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: 9, replica: 6
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -124.502461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.502461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.502461 (E_RNA)
where:
Base-Base interactions energy: -45.131
where: short stacking energy: -40.131
Base-Backbone interact. energy: -0.036
local terms energy: -79.334862
where:
bonds (distance) C4'-P energy: -14.516
bonds (distance) P-C4' energy: -25.744
flat angles C4'-P-C4' energy: -22.467
flat angles P-C4'-P energy: -13.384
tors. eta vs tors. theta energy: -3.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -105.737010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.737010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.737010 (E_RNA)
where:
Base-Base interactions energy: -33.064
where: short stacking energy: -33.064
Base-Backbone interact. energy: -0.142
local terms energy: -72.531410
where:
bonds (distance) C4'-P energy: -16.130
bonds (distance) P-C4' energy: -24.705
flat angles C4'-P-C4' energy: -17.134
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -3.181
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: 31
Temperature: 0.900000
Total energy: -356.732573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.732573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.732573 (E_RNA)
where:
Base-Base interactions energy: -235.348
where: short stacking energy: -110.313
Base-Backbone interact. energy: -0.106
local terms energy: -121.278543
where:
bonds (distance) C4'-P energy: -21.191
bonds (distance) P-C4' energy: -26.231
flat angles C4'-P-C4' energy: -25.244
flat angles P-C4'-P energy: -13.576
tors. eta vs tors. theta energy: -35.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -310.720919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.720919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.720919 (E_RNA)
where:
Base-Base interactions energy: -207.376
where: short stacking energy: -90.982
Base-Backbone interact. energy: -0.244
local terms energy: -103.100864
where:
bonds (distance) C4'-P energy: -19.814
bonds (distance) P-C4' energy: -26.675
flat angles C4'-P-C4' energy: -24.548
flat angles P-C4'-P energy: -14.437
tors. eta vs tors. theta energy: -17.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -294.401378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.401378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.401378 (E_RNA)
where:
Base-Base interactions energy: -196.878
where: short stacking energy: -91.454
Base-Backbone interact. energy: -0.106
local terms energy: -97.417400
where:
bonds (distance) C4'-P energy: -17.891
bonds (distance) P-C4' energy: -20.514
flat angles C4'-P-C4' energy: -20.956
flat angles P-C4'-P energy: -16.327
tors. eta vs tors. theta energy: -21.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -283.158004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.158004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.158004 (E_RNA)
where:
Base-Base interactions energy: -169.690
where: short stacking energy: -79.815
Base-Backbone interact. energy: -0.321
local terms energy: -113.147718
where:
bonds (distance) C4'-P energy: -23.485
bonds (distance) P-C4' energy: -25.912
flat angles C4'-P-C4' energy: -25.413
flat angles P-C4'-P energy: -14.545
tors. eta vs tors. theta energy: -23.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -290.017257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.017257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.017257 (E_RNA)
where:
Base-Base interactions energy: -189.675
where: short stacking energy: -99.599
Base-Backbone interact. energy: -0.142
local terms energy: -100.199913
where:
bonds (distance) C4'-P energy: -18.877
bonds (distance) P-C4' energy: -16.824
flat angles C4'-P-C4' energy: -20.714
flat angles P-C4'-P energy: -17.220
tors. eta vs tors. theta energy: -26.564
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: 6, replica: 4
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -259.736312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.736312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.736312 (E_RNA)
where:
Base-Base interactions energy: -160.380
where: short stacking energy: -82.585
Base-Backbone interact. energy: -0.132
local terms energy: -99.224275
where:
bonds (distance) C4'-P energy: -17.118
bonds (distance) P-C4' energy: -23.074
flat angles C4'-P-C4' energy: -21.600
flat angles P-C4'-P energy: -19.011
tors. eta vs tors. theta energy: -18.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -256.091511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.091511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.091511 (E_RNA)
where:
Base-Base interactions energy: -168.631
where: short stacking energy: -66.872
Base-Backbone interact. energy: -0.944
local terms energy: -86.515914
where:
bonds (distance) C4'-P energy: -20.335
bonds (distance) P-C4' energy: -18.350
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -17.850
tors. eta vs tors. theta energy: -15.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -124.540106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.540106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.540106 (E_RNA)
where:
Base-Base interactions energy: -54.778
where: short stacking energy: -41.673
Base-Backbone interact. energy: -0.159
local terms energy: -69.603052
where:
bonds (distance) C4'-P energy: -19.636
bonds (distance) P-C4' energy: -15.410
flat angles C4'-P-C4' energy: -18.210
flat angles P-C4'-P energy: -10.638
tors. eta vs tors. theta energy: -5.710
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: 6
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -123.841402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.841402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.841402 (E_RNA)
where:
Base-Base interactions energy: -47.991
where: short stacking energy: -41.972
Base-Backbone interact. energy: -0.226
local terms energy: -75.624285
where:
bonds (distance) C4'-P energy: -18.687
bonds (distance) P-C4' energy: -19.149
flat angles C4'-P-C4' energy: -16.057
flat angles P-C4'-P energy: -14.226
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: 31
Temperature: 1.350000
Total energy: -122.834417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.834417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.834417 (E_RNA)
where:
Base-Base interactions energy: -45.756
where: short stacking energy: -40.818
Base-Backbone interact. energy: -0.613
local terms energy: -76.466176
where:
bonds (distance) C4'-P energy: -18.513
bonds (distance) P-C4' energy: -21.581
flat angles C4'-P-C4' energy: -17.844
flat angles P-C4'-P energy: -11.064
tors. eta vs tors. theta energy: -7.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -360.424799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.424799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.424799 (E_RNA)
where:
Base-Base interactions energy: -251.833
where: short stacking energy: -112.817
Base-Backbone interact. energy: -0.394
local terms energy: -108.197391
where:
bonds (distance) C4'-P energy: -18.279
bonds (distance) P-C4' energy: -17.497
flat angles C4'-P-C4' energy: -25.074
flat angles P-C4'-P energy: -17.354
tors. eta vs tors. theta energy: -29.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -316.060877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.060877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.060877 (E_RNA)
where:
Base-Base interactions energy: -208.430
where: short stacking energy: -110.373
Base-Backbone interact. energy: -0.729
local terms energy: -106.901823
where:
bonds (distance) C4'-P energy: -19.126
bonds (distance) P-C4' energy: -19.073
flat angles C4'-P-C4' energy: -22.913
flat angles P-C4'-P energy: -16.023
tors. eta vs tors. theta energy: -29.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -303.500001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.500001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.500001 (E_RNA)
where:
Base-Base interactions energy: -204.626
where: short stacking energy: -88.574
Base-Backbone interact. energy: -1.092
local terms energy: -97.782096
where:
bonds (distance) C4'-P energy: -23.409
bonds (distance) P-C4' energy: -19.798
flat angles C4'-P-C4' energy: -19.647
flat angles P-C4'-P energy: -12.505
tors. eta vs tors. theta energy: -22.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -306.600543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.600543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.600543 (E_RNA)
where:
Base-Base interactions energy: -188.087
where: short stacking energy: -97.427
Base-Backbone interact. energy: 0.874
local terms energy: -119.387575
where:
bonds (distance) C4'-P energy: -25.116
bonds (distance) P-C4' energy: -22.161
flat angles C4'-P-C4' energy: -23.266
flat angles P-C4'-P energy: -17.866
tors. eta vs tors. theta energy: -30.980
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: 32
Temperature: 1.100000
Total energy: -296.726259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.726259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.726259 (E_RNA)
where:
Base-Base interactions energy: -190.738
where: short stacking energy: -87.264
Base-Backbone interact. energy: -0.277
local terms energy: -105.711090
where:
bonds (distance) C4'-P energy: -22.053
bonds (distance) P-C4' energy: -23.144
flat angles C4'-P-C4' energy: -20.241
flat angles P-C4'-P energy: -15.796
tors. eta vs tors. theta energy: -24.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -243.490431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.490431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.490431 (E_RNA)
where:
Base-Base interactions energy: -161.264
where: short stacking energy: -67.136
Base-Backbone interact. energy: -0.448
local terms energy: -81.778700
where:
bonds (distance) C4'-P energy: -19.644
bonds (distance) P-C4' energy: -18.618
flat angles C4'-P-C4' energy: -21.896
flat angles P-C4'-P energy: -14.017
tors. eta vs tors. theta energy: -7.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -251.174253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.174253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.174253 (E_RNA)
where:
Base-Base interactions energy: -154.017
where: short stacking energy: -67.647
Base-Backbone interact. energy: -0.494
local terms energy: -96.663034
where:
bonds (distance) C4'-P energy: -21.472
bonds (distance) P-C4' energy: -24.718
flat angles C4'-P-C4' energy: -18.572
flat angles P-C4'-P energy: -17.729
tors. eta vs tors. theta energy: -14.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -123.177277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.177277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.177277 (E_RNA)
where:
Base-Base interactions energy: -58.155
where: short stacking energy: -36.955
Base-Backbone interact. energy: -0.733
local terms energy: -64.288987
where:
bonds (distance) C4'-P energy: -5.598
bonds (distance) P-C4' energy: -21.099
flat angles C4'-P-C4' energy: -19.353
flat angles P-C4'-P energy: -11.622
tors. eta vs tors. theta energy: -6.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -112.474762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.474762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.474762 (E_RNA)
where:
Base-Base interactions energy: -44.420
where: short stacking energy: -41.279
Base-Backbone interact. energy: -0.222
local terms energy: -67.832987
where:
bonds (distance) C4'-P energy: -13.347
bonds (distance) P-C4' energy: -18.826
flat angles C4'-P-C4' energy: -23.448
flat angles P-C4'-P energy: -11.837
tors. eta vs tors. theta energy: -0.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -122.104132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.104132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.104132 (E_RNA)
where:
Base-Base interactions energy: -52.491
where: short stacking energy: -43.167
Base-Backbone interact. energy: -1.350
local terms energy: -68.263532
where:
bonds (distance) C4'-P energy: -22.024
bonds (distance) P-C4' energy: -19.061
flat angles C4'-P-C4' energy: -18.974
flat angles P-C4'-P energy: -10.294
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: 1, replica: 5
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -367.769727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.769727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.769727 (E_RNA)
where:
Base-Base interactions energy: -254.887
where: short stacking energy: -105.303
Base-Backbone interact. energy: 0.262
local terms energy: -113.144635
where:
bonds (distance) C4'-P energy: -23.426
bonds (distance) P-C4' energy: -21.078
flat angles C4'-P-C4' energy: -23.051
flat angles P-C4'-P energy: -16.045
tors. eta vs tors. theta energy: -29.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -310.156975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.156975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.156975 (E_RNA)
where:
Base-Base interactions energy: -199.200
where: short stacking energy: -103.922
Base-Backbone interact. energy: -0.015
local terms energy: -110.941227
where:
bonds (distance) C4'-P energy: -21.288
bonds (distance) P-C4' energy: -20.905
flat angles C4'-P-C4' energy: -25.371
flat angles P-C4'-P energy: -16.293
tors. eta vs tors. theta energy: -27.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -302.357725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.357725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.357725 (E_RNA)
where:
Base-Base interactions energy: -199.432
where: short stacking energy: -95.410
Base-Backbone interact. energy: -0.115
local terms energy: -102.810851
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -19.691
flat angles C4'-P-C4' energy: -25.434
flat angles P-C4'-P energy: -16.150
tors. eta vs tors. theta energy: -25.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -291.874591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.874591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.874591 (E_RNA)
where:
Base-Base interactions energy: -187.466
where: short stacking energy: -77.869
Base-Backbone interact. energy: -1.152
local terms energy: -103.256050
where:
bonds (distance) C4'-P energy: -21.162
bonds (distance) P-C4' energy: -23.891
flat angles C4'-P-C4' energy: -19.663
flat angles P-C4'-P energy: -16.882
tors. eta vs tors. theta energy: -21.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -270.870252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.870252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.870252 (E_RNA)
where:
Base-Base interactions energy: -169.412
where: short stacking energy: -87.826
Base-Backbone interact. energy: -0.054
local terms energy: -101.403770
where:
bonds (distance) C4'-P energy: -21.408
bonds (distance) P-C4' energy: -22.470
flat angles C4'-P-C4' energy: -24.736
flat angles P-C4'-P energy: -12.328
tors. eta vs tors. theta energy: -20.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -267.996284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.996284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.996284 (E_RNA)
where:
Base-Base interactions energy: -174.265
where: short stacking energy: -72.938
Base-Backbone interact. energy: -0.388
local terms energy: -93.343778
where:
bonds (distance) C4'-P energy: -20.781
bonds (distance) P-C4' energy: -24.804
flat angles C4'-P-C4' energy: -19.819
flat angles P-C4'-P energy: -13.926
tors. eta vs tors. theta energy: -14.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -248.029569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.029569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.029569 (E_RNA)
where:
Base-Base interactions energy: -159.020
where: short stacking energy: -74.014
Base-Backbone interact. energy: -0.223
local terms energy: -88.786634
where:
bonds (distance) C4'-P energy: -19.648
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -24.077
flat angles P-C4'-P energy: -9.587
tors. eta vs tors. theta energy: -19.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -129.240369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.240369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.240369 (E_RNA)
where:
Base-Base interactions energy: -39.043
where: short stacking energy: -39.043
Base-Backbone interact. energy: -0.179
local terms energy: -90.019307
where:
bonds (distance) C4'-P energy: -22.259
bonds (distance) P-C4' energy: -27.442
flat angles C4'-P-C4' energy: -19.333
flat angles P-C4'-P energy: -15.860
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: 9, replica: 1
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -126.981182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.981182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.981182 (E_RNA)
where:
Base-Base interactions energy: -62.990
where: short stacking energy: -47.365
Base-Backbone interact. energy: 0.645
local terms energy: -64.636002
where:
bonds (distance) C4'-P energy: -18.437
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -14.405
flat angles P-C4'-P energy: -8.714
tors. eta vs tors. theta energy: -4.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -103.513520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.513520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.513520 (E_RNA)
where:
Base-Base interactions energy: -31.125
where: short stacking energy: -26.292
Base-Backbone interact. energy: 0.712
local terms energy: -73.100601
where:
bonds (distance) C4'-P energy: -18.587
bonds (distance) P-C4' energy: -21.522
flat angles C4'-P-C4' energy: -15.276
flat angles P-C4'-P energy: -17.317
tors. eta vs tors. theta energy: -0.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -379.125491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.125491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.125491 (E_RNA)
where:
Base-Base interactions energy: -254.715
where: short stacking energy: -114.556
Base-Backbone interact. energy: -0.188
local terms energy: -124.221879
where:
bonds (distance) C4'-P energy: -23.804
bonds (distance) P-C4' energy: -23.941
flat angles C4'-P-C4' energy: -27.877
flat angles P-C4'-P energy: -13.707
tors. eta vs tors. theta energy: -34.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -312.868887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.868887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.868887 (E_RNA)
where:
Base-Base interactions energy: -202.580
where: short stacking energy: -107.525
Base-Backbone interact. energy: 1.492
local terms energy: -111.780388
where:
bonds (distance) C4'-P energy: -19.078
bonds (distance) P-C4' energy: -22.478
flat angles C4'-P-C4' energy: -24.654
flat angles P-C4'-P energy: -15.260
tors. eta vs tors. theta energy: -30.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -304.070437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.070437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.070437 (E_RNA)
where:
Base-Base interactions energy: -205.543
where: short stacking energy: -94.426
Base-Backbone interact. energy: -0.145
local terms energy: -98.382374
where:
bonds (distance) C4'-P energy: -20.475
bonds (distance) P-C4' energy: -21.164
flat angles C4'-P-C4' energy: -19.696
flat angles P-C4'-P energy: -10.385
tors. eta vs tors. theta energy: -26.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -315.111757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.111757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.111757 (E_RNA)
where:
Base-Base interactions energy: -209.026
where: short stacking energy: -96.899
Base-Backbone interact. energy: -0.461
local terms energy: -105.624331
where:
bonds (distance) C4'-P energy: -20.629
bonds (distance) P-C4' energy: -24.170
flat angles C4'-P-C4' energy: -20.124
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -29.572
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: 10
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -300.111271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.111271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.111271 (E_RNA)
where:
Base-Base interactions energy: -201.233
where: short stacking energy: -89.865
Base-Backbone interact. energy: -0.208
local terms energy: -98.669896
where:
bonds (distance) C4'-P energy: -18.178
bonds (distance) P-C4' energy: -19.691
flat angles C4'-P-C4' energy: -23.551
flat angles P-C4'-P energy: -13.841
tors. eta vs tors. theta energy: -23.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -251.519573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.519573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.519573 (E_RNA)
where:
Base-Base interactions energy: -164.075
where: short stacking energy: -73.631
Base-Backbone interact. energy: -0.788
local terms energy: -86.657155
where:
bonds (distance) C4'-P energy: -20.132
bonds (distance) P-C4' energy: -13.461
flat angles C4'-P-C4' energy: -24.815
flat angles P-C4'-P energy: -10.844
tors. eta vs tors. theta energy: -17.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -141.583278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.583278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.583278 (E_RNA)
where:
Base-Base interactions energy: -59.615
where: short stacking energy: -59.615
Base-Backbone interact. energy: -0.183
local terms energy: -81.784981
where:
bonds (distance) C4'-P energy: -16.609
bonds (distance) P-C4' energy: -26.672
flat angles C4'-P-C4' energy: -16.466
flat angles P-C4'-P energy: -7.872
tors. eta vs tors. theta energy: -14.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -254.386459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.386459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.386459 (E_RNA)
where:
Base-Base interactions energy: -160.665
where: short stacking energy: -69.354
Base-Backbone interact. energy: -0.137
local terms energy: -93.584698
where:
bonds (distance) C4'-P energy: -16.571
bonds (distance) P-C4' energy: -25.927
flat angles C4'-P-C4' energy: -22.844
flat angles P-C4'-P energy: -9.577
tors. eta vs tors. theta energy: -18.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -115.376982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.376982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.376982 (E_RNA)
where:
Base-Base interactions energy: -49.105
where: short stacking energy: -49.105
Base-Backbone interact. energy: -0.211
local terms energy: -66.061568
where:
bonds (distance) C4'-P energy: -9.547
bonds (distance) P-C4' energy: -22.237
flat angles C4'-P-C4' energy: -17.700
flat angles P-C4'-P energy: -9.598
tors. eta vs tors. theta energy: -6.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -112.392375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.392375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.392375 (E_RNA)
where:
Base-Base interactions energy: -38.550
where: short stacking energy: -36.997
Base-Backbone interact. energy: -0.045
local terms energy: -73.797236
where:
bonds (distance) C4'-P energy: -24.279
bonds (distance) P-C4' energy: -18.564
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -9.489
tors. eta vs tors. theta energy: -6.925
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: 5
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -370.471366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.471366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.471366 (E_RNA)
where:
Base-Base interactions energy: -246.548
where: short stacking energy: -101.744
Base-Backbone interact. energy: -0.119
local terms energy: -123.804040
where:
bonds (distance) C4'-P energy: -23.770
bonds (distance) P-C4' energy: -25.811
flat angles C4'-P-C4' energy: -25.494
flat angles P-C4'-P energy: -18.142
tors. eta vs tors. theta energy: -30.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -308.021270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.021270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.021270 (E_RNA)
where:
Base-Base interactions energy: -195.750
where: short stacking energy: -84.483
Base-Backbone interact. energy: -0.111
local terms energy: -112.159990
where:
bonds (distance) C4'-P energy: -25.827
bonds (distance) P-C4' energy: -23.937
flat angles C4'-P-C4' energy: -21.149
flat angles P-C4'-P energy: -13.978
tors. eta vs tors. theta energy: -27.268
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: 9
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -297.402334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.402334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.402334 (E_RNA)
where:
Base-Base interactions energy: -184.708
where: short stacking energy: -98.697
Base-Backbone interact. energy: 0.021
local terms energy: -112.715550
where:
bonds (distance) C4'-P energy: -22.064
bonds (distance) P-C4' energy: -19.369
flat angles C4'-P-C4' energy: -21.539
flat angles P-C4'-P energy: -19.043
tors. eta vs tors. theta energy: -30.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -301.232293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.232293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.232293 (E_RNA)
where:
Base-Base interactions energy: -197.534
where: short stacking energy: -80.004
Base-Backbone interact. energy: -0.134
local terms energy: -103.564803
where:
bonds (distance) C4'-P energy: -21.897
bonds (distance) P-C4' energy: -24.650
flat angles C4'-P-C4' energy: -16.236
flat angles P-C4'-P energy: -16.608
tors. eta vs tors. theta energy: -24.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -283.795396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.795396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.795396 (E_RNA)
where:
Base-Base interactions energy: -188.211
where: short stacking energy: -100.124
Base-Backbone interact. energy: -0.014
local terms energy: -95.569915
where:
bonds (distance) C4'-P energy: -23.823
bonds (distance) P-C4' energy: -16.327
flat angles C4'-P-C4' energy: -21.472
flat angles P-C4'-P energy: -10.144
tors. eta vs tors. theta energy: -23.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -254.091186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.091186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.091186 (E_RNA)
where:
Base-Base interactions energy: -161.827
where: short stacking energy: -77.358
Base-Backbone interact. energy: -0.114
local terms energy: -92.150430
where:
bonds (distance) C4'-P energy: -24.433
bonds (distance) P-C4' energy: -16.931
flat angles C4'-P-C4' energy: -19.649
flat angles P-C4'-P energy: -12.890
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: 7, replica: 7
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -147.005999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.005999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.005999 (E_RNA)
where:
Base-Base interactions energy: -60.113
where: short stacking energy: -49.108
Base-Backbone interact. energy: -0.181
local terms energy: -86.712059
where:
bonds (distance) C4'-P energy: -20.156
bonds (distance) P-C4' energy: -21.330
flat angles C4'-P-C4' energy: -15.985
flat angles P-C4'-P energy: -17.751
tors. eta vs tors. theta energy: -11.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -246.249851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.249851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.249851 (E_RNA)
where:
Base-Base interactions energy: -172.616
where: short stacking energy: -66.771
Base-Backbone interact. energy: -0.400
local terms energy: -73.233816
where:
bonds (distance) C4'-P energy: -11.036
bonds (distance) P-C4' energy: -18.806
flat angles C4'-P-C4' energy: -14.769
flat angles P-C4'-P energy: -6.956
tors. eta vs tors. theta energy: -21.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -117.565431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.565431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.565431 (E_RNA)
where:
Base-Base interactions energy: -40.220
where: short stacking energy: -37.143
Base-Backbone interact. energy: -0.058
local terms energy: -77.286873
where:
bonds (distance) C4'-P energy: -17.342
bonds (distance) P-C4' energy: -25.604
flat angles C4'-P-C4' energy: -20.444
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -5.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -103.840094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.840094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.840094 (E_RNA)
where:
Base-Base interactions energy: -36.452
where: short stacking energy: -18.984
Base-Backbone interact. energy: 0.205
local terms energy: -67.592911
where:
bonds (distance) C4'-P energy: -27.497
bonds (distance) P-C4' energy: -17.383
flat angles C4'-P-C4' energy: -17.477
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: 3.992
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: 5
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -373.282083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.282083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.282083 (E_RNA)
where:
Base-Base interactions energy: -244.862
where: short stacking energy: -105.360
Base-Backbone interact. energy: -0.027
local terms energy: -128.393036
where:
bonds (distance) C4'-P energy: -26.361
bonds (distance) P-C4' energy: -23.513
flat angles C4'-P-C4' energy: -25.543
flat angles P-C4'-P energy: -19.781
tors. eta vs tors. theta energy: -33.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -310.870666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.870666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.870666 (E_RNA)
where:
Base-Base interactions energy: -200.318
where: short stacking energy: -99.760
Base-Backbone interact. energy: -0.002
local terms energy: -110.550686
where:
bonds (distance) C4'-P energy: -17.544
bonds (distance) P-C4' energy: -23.411
flat angles C4'-P-C4' energy: -22.150
flat angles P-C4'-P energy: -15.339
tors. eta vs tors. theta energy: -32.107
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: 3, replica: 2
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -315.031592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.031592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.031592 (E_RNA)
where:
Base-Base interactions energy: -209.871
where: short stacking energy: -98.945
Base-Backbone interact. energy: -0.190
local terms energy: -104.970653
where:
bonds (distance) C4'-P energy: -20.192
bonds (distance) P-C4' energy: -20.190
flat angles C4'-P-C4' energy: -24.402
flat angles P-C4'-P energy: -12.943
tors. eta vs tors. theta energy: -27.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -290.452883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.452883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.452883 (E_RNA)
where:
Base-Base interactions energy: -186.453
where: short stacking energy: -95.795
Base-Backbone interact. energy: -0.036
local terms energy: -103.964329
where:
bonds (distance) C4'-P energy: -26.015
bonds (distance) P-C4' energy: -19.664
flat angles C4'-P-C4' energy: -20.425
flat angles P-C4'-P energy: -17.804
tors. eta vs tors. theta energy: -20.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -273.302186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.302186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.302186 (E_RNA)
where:
Base-Base interactions energy: -169.957
where: short stacking energy: -73.393
Base-Backbone interact. energy: -0.080
local terms energy: -103.265936
where:
bonds (distance) C4'-P energy: -24.052
bonds (distance) P-C4' energy: -20.323
flat angles C4'-P-C4' energy: -26.223
flat angles P-C4'-P energy: -9.410
tors. eta vs tors. theta energy: -23.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -266.992519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.992519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.992519 (E_RNA)
where:
Base-Base interactions energy: -166.378
where: short stacking energy: -80.651
Base-Backbone interact. energy: -0.143
local terms energy: -100.471527
where:
bonds (distance) C4'-P energy: -19.214
bonds (distance) P-C4' energy: -23.963
flat angles C4'-P-C4' energy: -20.753
flat angles P-C4'-P energy: -13.462
tors. eta vs tors. theta energy: -23.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -247.904391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.904391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.904391 (E_RNA)
where:
Base-Base interactions energy: -158.863
where: short stacking energy: -71.017
Base-Backbone interact. energy: -0.168
local terms energy: -88.873674
where:
bonds (distance) C4'-P energy: -26.221
bonds (distance) P-C4' energy: -22.311
flat angles C4'-P-C4' energy: -12.740
flat angles P-C4'-P energy: -15.480
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: 8, replica: 7
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -116.233844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.233844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.233844 (E_RNA)
where:
Base-Base interactions energy: -50.839
where: short stacking energy: -36.767
Base-Backbone interact. energy: 0.063
local terms energy: -65.458279
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -20.827
flat angles C4'-P-C4' energy: -21.430
flat angles P-C4'-P energy: -6.688
tors. eta vs tors. theta energy: -0.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -120.934020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.934020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.934020 (E_RNA)
where:
Base-Base interactions energy: -47.807
where: short stacking energy: -40.731
Base-Backbone interact. energy: 1.188
local terms energy: -74.314978
where:
bonds (distance) C4'-P energy: -21.650
bonds (distance) P-C4' energy: -18.748
flat angles C4'-P-C4' energy: -17.257
flat angles P-C4'-P energy: -13.312
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: 10, replica: 6
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -108.959249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.959249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.959249 (E_RNA)
where:
Base-Base interactions energy: -42.576
where: short stacking energy: -41.252
Base-Backbone interact. energy: 1.055
local terms energy: -67.437866
where:
bonds (distance) C4'-P energy: -19.556
bonds (distance) P-C4' energy: -16.788
flat angles C4'-P-C4' energy: -12.028
flat angles P-C4'-P energy: -15.822
tors. eta vs tors. theta energy: -3.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -368.683136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.683136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.683136 (E_RNA)
where:
Base-Base interactions energy: -240.005
where: short stacking energy: -110.347
Base-Backbone interact. energy: -0.406
local terms energy: -128.271856
where:
bonds (distance) C4'-P energy: -25.616
bonds (distance) P-C4' energy: -25.854
flat angles C4'-P-C4' energy: -25.152
flat angles P-C4'-P energy: -16.942
tors. eta vs tors. theta energy: -34.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -310.782172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.782172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.782172 (E_RNA)
where:
Base-Base interactions energy: -200.561
where: short stacking energy: -94.597
Base-Backbone interact. energy: -0.158
local terms energy: -110.064002
where:
bonds (distance) C4'-P energy: -21.883
bonds (distance) P-C4' energy: -22.123
flat angles C4'-P-C4' energy: -24.766
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: -31.617
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: 37
Temperature: 1.000000
Total energy: -305.210329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.210329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.210329 (E_RNA)
where:
Base-Base interactions energy: -213.526
where: short stacking energy: -87.070
Base-Backbone interact. energy: -0.104
local terms energy: -91.579670
where:
bonds (distance) C4'-P energy: -17.879
bonds (distance) P-C4' energy: -19.452
flat angles C4'-P-C4' energy: -21.009
flat angles P-C4'-P energy: -8.520
tors. eta vs tors. theta energy: -24.720
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: 9
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -285.993647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.993647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.993647 (E_RNA)
where:
Base-Base interactions energy: -183.305
where: short stacking energy: -87.321
Base-Backbone interact. energy: -0.963
local terms energy: -101.725877
where:
bonds (distance) C4'-P energy: -22.913
bonds (distance) P-C4' energy: -19.662
flat angles C4'-P-C4' energy: -20.008
flat angles P-C4'-P energy: -16.518
tors. eta vs tors. theta energy: -22.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -273.365670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.365670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.365670 (E_RNA)
where:
Base-Base interactions energy: -169.014
where: short stacking energy: -77.968
Base-Backbone interact. energy: -1.395
local terms energy: -102.956282
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -24.335
flat angles C4'-P-C4' energy: -27.206
flat angles P-C4'-P energy: -14.660
tors. eta vs tors. theta energy: -21.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -261.597088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.597088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.597088 (E_RNA)
where:
Base-Base interactions energy: -174.744
where: short stacking energy: -81.584
Base-Backbone interact. energy: -0.131
local terms energy: -86.722031
where:
bonds (distance) C4'-P energy: -15.441
bonds (distance) P-C4' energy: -19.761
flat angles C4'-P-C4' energy: -14.861
flat angles P-C4'-P energy: -15.970
tors. eta vs tors. theta energy: -20.689
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: 7, replica: 10
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -247.900775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.900775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.900775 (E_RNA)
where:
Base-Base interactions energy: -159.162
where: short stacking energy: -69.419
Base-Backbone interact. energy: -0.306
local terms energy: -88.432742
where:
bonds (distance) C4'-P energy: -19.463
bonds (distance) P-C4' energy: -20.730
flat angles C4'-P-C4' energy: -20.855
flat angles P-C4'-P energy: -14.467
tors. eta vs tors. theta energy: -12.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -126.398834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.398834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.398834 (E_RNA)
where:
Base-Base interactions energy: -41.040
where: short stacking energy: -41.406
Base-Backbone interact. energy: 0.426
local terms energy: -85.784992
where:
bonds (distance) C4'-P energy: -22.912
bonds (distance) P-C4' energy: -24.819
flat angles C4'-P-C4' energy: -19.540
flat angles P-C4'-P energy: -13.093
tors. eta vs tors. theta energy: -5.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -119.966301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.966301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.966301 (E_RNA)
where:
Base-Base interactions energy: -51.804
where: short stacking energy: -47.358
Base-Backbone interact. energy: 1.047
local terms energy: -69.209339
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -24.169
flat angles C4'-P-C4' energy: -20.415
flat angles P-C4'-P energy: -8.320
tors. eta vs tors. theta energy: -1.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -108.211343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.211343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.211343 (E_RNA)
where:
Base-Base interactions energy: -49.100
where: short stacking energy: -37.724
Base-Backbone interact. energy: -0.510
local terms energy: -58.601082
where:
bonds (distance) C4'-P energy: -16.489
bonds (distance) P-C4' energy: -13.872
flat angles C4'-P-C4' energy: -17.070
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: -3.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -368.448586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.448586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.448586 (E_RNA)
where:
Base-Base interactions energy: -250.260
where: short stacking energy: -111.752
Base-Backbone interact. energy: -0.341
local terms energy: -117.848544
where:
bonds (distance) C4'-P energy: -24.363
bonds (distance) P-C4' energy: -22.518
flat angles C4'-P-C4' energy: -24.201
flat angles P-C4'-P energy: -16.112
tors. eta vs tors. theta energy: -30.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -300.510691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.510691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.510691 (E_RNA)
where:
Base-Base interactions energy: -188.248
where: short stacking energy: -94.767
Base-Backbone interact. energy: -0.036
local terms energy: -112.227214
where:
bonds (distance) C4'-P energy: -17.515
bonds (distance) P-C4' energy: -25.603
flat angles C4'-P-C4' energy: -23.526
flat angles P-C4'-P energy: -19.504
tors. eta vs tors. theta energy: -26.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -314.174043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.174043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.174043 (E_RNA)
where:
Base-Base interactions energy: -200.873
where: short stacking energy: -104.720
Base-Backbone interact. energy: -0.171
local terms energy: -113.129740
where:
bonds (distance) C4'-P energy: -17.558
bonds (distance) P-C4' energy: -24.551
flat angles C4'-P-C4' energy: -27.320
flat angles P-C4'-P energy: -18.157
tors. eta vs tors. theta energy: -25.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -290.630720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.630720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.630720 (E_RNA)
where:
Base-Base interactions energy: -190.393
where: short stacking energy: -87.647
Base-Backbone interact. energy: 1.070
local terms energy: -101.307012
where:
bonds (distance) C4'-P energy: -23.302
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -20.638
flat angles P-C4'-P energy: -15.963
tors. eta vs tors. theta energy: -25.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -266.765430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.765430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.765430 (E_RNA)
where:
Base-Base interactions energy: -171.591
where: short stacking energy: -79.563
Base-Backbone interact. energy: -0.202
local terms energy: -94.972406
where:
bonds (distance) C4'-P energy: -22.016
bonds (distance) P-C4' energy: -22.792
flat angles C4'-P-C4' energy: -18.868
flat angles P-C4'-P energy: -10.059
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: 6, replica: 8
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -267.168179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.168179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.168179 (E_RNA)
where:
Base-Base interactions energy: -162.660
where: short stacking energy: -82.249
Base-Backbone interact. energy: -0.052
local terms energy: -104.455277
where:
bonds (distance) C4'-P energy: -24.896
bonds (distance) P-C4' energy: -20.266
flat angles C4'-P-C4' energy: -25.349
flat angles P-C4'-P energy: -13.183
tors. eta vs tors. theta energy: -20.761
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: 10
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -232.054672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.054672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.054672 (E_RNA)
where:
Base-Base interactions energy: -137.061
where: short stacking energy: -63.856
Base-Backbone interact. energy: -1.028
local terms energy: -93.965348
where:
bonds (distance) C4'-P energy: -23.021
bonds (distance) P-C4' energy: -22.724
flat angles C4'-P-C4' energy: -19.593
flat angles P-C4'-P energy: -13.322
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: 8, replica: 1
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -175.478599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.478599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.478599 (E_RNA)
where:
Base-Base interactions energy: -97.390
where: short stacking energy: -43.165
Base-Backbone interact. energy: 0.065
local terms energy: -78.153970
where:
bonds (distance) C4'-P energy: -18.194
bonds (distance) P-C4' energy: -20.617
flat angles C4'-P-C4' energy: -23.992
flat angles P-C4'-P energy: -13.312
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: 9, replica: 6
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -113.259596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.259596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.259596 (E_RNA)
where:
Base-Base interactions energy: -44.927
where: short stacking energy: -28.863
Base-Backbone interact. energy: -2.295
local terms energy: -66.037351
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -13.282
flat angles C4'-P-C4' energy: -18.553
flat angles P-C4'-P energy: -14.401
tors. eta vs tors. theta energy: -4.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -117.307394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.307394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.307394 (E_RNA)
where:
Base-Base interactions energy: -54.016
where: short stacking energy: -39.849
Base-Backbone interact. energy: -0.163
local terms energy: -63.128096
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -19.198
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: -6.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -363.919617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.919617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.919617 (E_RNA)
where:
Base-Base interactions energy: -255.125
where: short stacking energy: -107.585
Base-Backbone interact. energy: -0.290
local terms energy: -108.504066
where:
bonds (distance) C4'-P energy: -22.086
bonds (distance) P-C4' energy: -21.335
flat angles C4'-P-C4' energy: -21.277
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -33.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -297.572073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.572073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.572073 (E_RNA)
where:
Base-Base interactions energy: -189.656
where: short stacking energy: -88.319
Base-Backbone interact. energy: -0.511
local terms energy: -107.404867
where:
bonds (distance) C4'-P energy: -19.528
bonds (distance) P-C4' energy: -24.680
flat angles C4'-P-C4' energy: -20.991
flat angles P-C4'-P energy: -17.378
tors. eta vs tors. theta energy: -24.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -293.154534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.154534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.154534 (E_RNA)
where:
Base-Base interactions energy: -199.115
where: short stacking energy: -78.095
Base-Backbone interact. energy: -0.154
local terms energy: -93.885924
where:
bonds (distance) C4'-P energy: -23.138
bonds (distance) P-C4' energy: -21.880
flat angles C4'-P-C4' energy: -16.546
flat angles P-C4'-P energy: -7.715
tors. eta vs tors. theta energy: -24.606
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: 9
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -299.069063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.069063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.069063 (E_RNA)
where:
Base-Base interactions energy: -189.635
where: short stacking energy: -95.729
Base-Backbone interact. energy: -0.158
local terms energy: -109.275738
where:
bonds (distance) C4'-P energy: -21.787
bonds (distance) P-C4' energy: -21.790
flat angles C4'-P-C4' energy: -19.298
flat angles P-C4'-P energy: -17.977
tors. eta vs tors. theta energy: -28.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -273.422927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.422927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.422927 (E_RNA)
where:
Base-Base interactions energy: -176.033
where: short stacking energy: -70.540
Base-Backbone interact. energy: -0.262
local terms energy: -97.128125
where:
bonds (distance) C4'-P energy: -22.135
bonds (distance) P-C4' energy: -21.231
flat angles C4'-P-C4' energy: -22.229
flat angles P-C4'-P energy: -15.363
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: 6, replica: 10
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -238.608078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.608078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.608078 (E_RNA)
where:
Base-Base interactions energy: -137.738
where: short stacking energy: -61.994
Base-Backbone interact. energy: -0.254
local terms energy: -100.616867
where:
bonds (distance) C4'-P energy: -24.230
bonds (distance) P-C4' energy: -26.636
flat angles C4'-P-C4' energy: -20.451
flat angles P-C4'-P energy: -16.919
tors. eta vs tors. theta energy: -12.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -254.495629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.495629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.495629 (E_RNA)
where:
Base-Base interactions energy: -162.755
where: short stacking energy: -71.598
Base-Backbone interact. energy: 1.768
local terms energy: -93.509039
where:
bonds (distance) C4'-P energy: -20.558
bonds (distance) P-C4' energy: -20.358
flat angles C4'-P-C4' energy: -19.469
flat angles P-C4'-P energy: -15.534
tors. eta vs tors. theta energy: -17.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -131.555971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.555971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.555971 (E_RNA)
where:
Base-Base interactions energy: -59.364
where: short stacking energy: -49.549
Base-Backbone interact. energy: -0.500
local terms energy: -71.692476
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -26.896
flat angles C4'-P-C4' energy: -18.116
flat angles P-C4'-P energy: -12.223
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: 39
Temperature: 1.300000
Total energy: -120.559763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.559763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.559763 (E_RNA)
where:
Base-Base interactions energy: -36.955
where: short stacking energy: -32.845
Base-Backbone interact. energy: -0.254
local terms energy: -83.351431
where:
bonds (distance) C4'-P energy: -22.101
bonds (distance) P-C4' energy: -24.826
flat angles C4'-P-C4' energy: -23.766
flat angles P-C4'-P energy: -7.743
tors. eta vs tors. theta energy: -4.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -106.183248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.183248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.183248 (E_RNA)
where:
Base-Base interactions energy: -50.332
where: short stacking energy: -31.040
Base-Backbone interact. energy: -0.580
local terms energy: -55.271248
where:
bonds (distance) C4'-P energy: -18.106
bonds (distance) P-C4' energy: -19.165
flat angles C4'-P-C4' energy: -9.678
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: 3.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -377.494925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.494925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.494925 (E_RNA)
where:
Base-Base interactions energy: -250.431
where: short stacking energy: -105.905
Base-Backbone interact. energy: -0.030
local terms energy: -127.034665
where:
bonds (distance) C4'-P energy: -25.356
bonds (distance) P-C4' energy: -24.444
flat angles C4'-P-C4' energy: -24.021
flat angles P-C4'-P energy: -17.011
tors. eta vs tors. theta energy: -36.203
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: 3
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -321.207740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.207740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.207740 (E_RNA)
where:
Base-Base interactions energy: -211.842
where: short stacking energy: -103.175
Base-Backbone interact. energy: -0.080
local terms energy: -109.284906
where:
bonds (distance) C4'-P energy: -21.159
bonds (distance) P-C4' energy: -20.792
flat angles C4'-P-C4' energy: -25.172
flat angles P-C4'-P energy: -14.111
tors. eta vs tors. theta energy: -28.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -299.391768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.391768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.391768 (E_RNA)
where:
Base-Base interactions energy: -184.235
where: short stacking energy: -94.440
Base-Backbone interact. energy: -0.113
local terms energy: -115.043975
where:
bonds (distance) C4'-P energy: -25.119
bonds (distance) P-C4' energy: -20.424
flat angles C4'-P-C4' energy: -26.009
flat angles P-C4'-P energy: -16.312
tors. eta vs tors. theta energy: -27.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -283.145289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.145289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.145289 (E_RNA)
where:
Base-Base interactions energy: -204.983
where: short stacking energy: -81.619
Base-Backbone interact. energy: -0.435
local terms energy: -77.727516
where:
bonds (distance) C4'-P energy: -9.772
bonds (distance) P-C4' energy: -21.393
flat angles C4'-P-C4' energy: -17.187
flat angles P-C4'-P energy: -13.046
tors. eta vs tors. theta energy: -16.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -283.593477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.593477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.593477 (E_RNA)
where:
Base-Base interactions energy: -186.024
where: short stacking energy: -78.057
Base-Backbone interact. energy: 1.144
local terms energy: -98.713999
where:
bonds (distance) C4'-P energy: -20.893
bonds (distance) P-C4' energy: -23.938
flat angles C4'-P-C4' energy: -23.353
flat angles P-C4'-P energy: -13.354
tors. eta vs tors. theta energy: -17.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -243.655182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.655182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.655182 (E_RNA)
where:
Base-Base interactions energy: -149.854
where: short stacking energy: -70.370
Base-Backbone interact. energy: -0.469
local terms energy: -93.331963
where:
bonds (distance) C4'-P energy: -17.038
bonds (distance) P-C4' energy: -24.635
flat angles C4'-P-C4' energy: -18.846
flat angles P-C4'-P energy: -12.266
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: 7, replica: 8
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -253.099111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.099111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.099111 (E_RNA)
where:
Base-Base interactions energy: -158.766
where: short stacking energy: -77.648
Base-Backbone interact. energy: -0.421
local terms energy: -93.912705
where:
bonds (distance) C4'-P energy: -19.919
bonds (distance) P-C4' energy: -22.401
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -19.919
tors. eta vs tors. theta energy: -16.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -129.434577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.434577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.434577 (E_RNA)
where:
Base-Base interactions energy: -46.122
where: short stacking energy: -45.814
Base-Backbone interact. energy: 0.276
local terms energy: -83.588210
where:
bonds (distance) C4'-P energy: -22.122
bonds (distance) P-C4' energy: -21.471
flat angles C4'-P-C4' energy: -20.668
flat angles P-C4'-P energy: -11.656
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: 40
Temperature: 1.300000
Total energy: -124.959026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.959026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.959026 (E_RNA)
where:
Base-Base interactions energy: -48.967
where: short stacking energy: -48.139
Base-Backbone interact. energy: 1.562
local terms energy: -77.553445
where:
bonds (distance) C4'-P energy: -18.935
bonds (distance) P-C4' energy: -23.244
flat angles C4'-P-C4' energy: -22.011
flat angles P-C4'-P energy: -5.787
tors. eta vs tors. theta energy: -7.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -109.536311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.536311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.536311 (E_RNA)
where:
Base-Base interactions energy: -41.445
where: short stacking energy: -37.936
Base-Backbone interact. energy: -0.307
local terms energy: -67.784602
where:
bonds (distance) C4'-P energy: -21.018
bonds (distance) P-C4' energy: -21.501
flat angles C4'-P-C4' energy: -15.300
flat angles P-C4'-P energy: -6.787
tors. eta vs tors. theta energy: -3.178
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: 5
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -366.296976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.296976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.296976 (E_RNA)
where:
Base-Base interactions energy: -246.695
where: short stacking energy: -112.929
Base-Backbone interact. energy: -0.075
local terms energy: -119.527778
where:
bonds (distance) C4'-P energy: -21.163
bonds (distance) P-C4' energy: -21.663
flat angles C4'-P-C4' energy: -24.863
flat angles P-C4'-P energy: -15.604
tors. eta vs tors. theta energy: -36.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -306.972582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.972582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.972582 (E_RNA)
where:
Base-Base interactions energy: -200.003
where: short stacking energy: -111.802
Base-Backbone interact. energy: -0.108
local terms energy: -106.861860
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -20.486
flat angles C4'-P-C4' energy: -23.739
flat angles P-C4'-P energy: -16.642
tors. eta vs tors. theta energy: -29.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -298.555176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.555176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.555176 (E_RNA)
where:
Base-Base interactions energy: -197.994
where: short stacking energy: -91.170
Base-Backbone interact. energy: -0.742
local terms energy: -99.819416
where:
bonds (distance) C4'-P energy: -19.735
bonds (distance) P-C4' energy: -15.950
flat angles C4'-P-C4' energy: -23.798
flat angles P-C4'-P energy: -14.010
tors. eta vs tors. theta energy: -26.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -284.190948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.190948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.190948 (E_RNA)
where:
Base-Base interactions energy: -181.594
where: short stacking energy: -87.899
Base-Backbone interact. energy: -0.220
local terms energy: -102.377034
where:
bonds (distance) C4'-P energy: -14.518
bonds (distance) P-C4' energy: -23.918
flat angles C4'-P-C4' energy: -25.431
flat angles P-C4'-P energy: -16.690
tors. eta vs tors. theta energy: -21.820
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: 5, replica: 2
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -265.692651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.692651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.692651 (E_RNA)
where:
Base-Base interactions energy: -171.227
where: short stacking energy: -79.817
Base-Backbone interact. energy: -0.059
local terms energy: -94.406534
where:
bonds (distance) C4'-P energy: -19.154
bonds (distance) P-C4' energy: -21.897
flat angles C4'-P-C4' energy: -18.872
flat angles P-C4'-P energy: -11.408
tors. eta vs tors. theta energy: -23.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -261.116855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.116855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.116855 (E_RNA)
where:
Base-Base interactions energy: -174.002
where: short stacking energy: -87.965
Base-Backbone interact. energy: -0.224
local terms energy: -86.890893
where:
bonds (distance) C4'-P energy: -17.451
bonds (distance) P-C4' energy: -17.449
flat angles C4'-P-C4' energy: -20.017
flat angles P-C4'-P energy: -12.434
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: 7, replica: 10
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -260.526719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.526719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.526719 (E_RNA)
where:
Base-Base interactions energy: -176.410
where: short stacking energy: -84.400
Base-Backbone interact. energy: -0.041
local terms energy: -84.075708
where:
bonds (distance) C4'-P energy: -16.307
bonds (distance) P-C4' energy: -14.239
flat angles C4'-P-C4' energy: -23.540
flat angles P-C4'-P energy: -9.949
tors. eta vs tors. theta energy: -20.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -128.518446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.518446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.518446 (E_RNA)
where:
Base-Base interactions energy: -53.946
where: short stacking energy: -38.539
Base-Backbone interact. energy: -0.529
local terms energy: -74.042551
where:
bonds (distance) C4'-P energy: -19.452
bonds (distance) P-C4' energy: -18.625
flat angles C4'-P-C4' energy: -20.622
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: -6.290
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: 1
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -117.467594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.467594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.467594 (E_RNA)
where:
Base-Base interactions energy: -47.579
where: short stacking energy: -28.922
Base-Backbone interact. energy: -1.189
local terms energy: -68.700420
where:
bonds (distance) C4'-P energy: -23.464
bonds (distance) P-C4' energy: -18.092
flat angles C4'-P-C4' energy: -17.454
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: 0.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -111.826939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.826939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.826939 (E_RNA)
where:
Base-Base interactions energy: -35.152
where: short stacking energy: -34.832
Base-Backbone interact. energy: 0.152
local terms energy: -76.826434
where:
bonds (distance) C4'-P energy: -20.925
bonds (distance) P-C4' energy: -20.044
flat angles C4'-P-C4' energy: -22.021
flat angles P-C4'-P energy: -15.001
tors. eta vs tors. theta energy: 1.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -365.395250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.395250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.395250 (E_RNA)
where:
Base-Base interactions energy: -256.246
where: short stacking energy: -107.861
Base-Backbone interact. energy: -0.051
local terms energy: -109.098728
where:
bonds (distance) C4'-P energy: -21.788
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -18.138
tors. eta vs tors. theta energy: -37.599
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: 9
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -315.625385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.625385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.625385 (E_RNA)
where:
Base-Base interactions energy: -204.180
where: short stacking energy: -90.035
Base-Backbone interact. energy: -1.453
local terms energy: -109.992570
where:
bonds (distance) C4'-P energy: -18.187
bonds (distance) P-C4' energy: -21.677
flat angles C4'-P-C4' energy: -26.536
flat angles P-C4'-P energy: -18.617
tors. eta vs tors. theta energy: -24.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -275.394946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.394946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.394946 (E_RNA)
where:
Base-Base interactions energy: -179.787
where: short stacking energy: -84.636
Base-Backbone interact. energy: -0.216
local terms energy: -95.391988
where:
bonds (distance) C4'-P energy: -19.342
bonds (distance) P-C4' energy: -18.268
flat angles C4'-P-C4' energy: -20.999
flat angles P-C4'-P energy: -15.924
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: 3
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -289.678046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.678046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.678046 (E_RNA)
where:
Base-Base interactions energy: -179.273
where: short stacking energy: -82.857
Base-Backbone interact. energy: -0.380
local terms energy: -110.024361
where:
bonds (distance) C4'-P energy: -16.922
bonds (distance) P-C4' energy: -24.802
flat angles C4'-P-C4' energy: -23.087
flat angles P-C4'-P energy: -17.850
tors. eta vs tors. theta energy: -27.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -262.215259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.215259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.215259 (E_RNA)
where:
Base-Base interactions energy: -177.389
where: short stacking energy: -69.041
Base-Backbone interact. energy: -0.172
local terms energy: -84.654129
where:
bonds (distance) C4'-P energy: -24.293
bonds (distance) P-C4' energy: -24.374
flat angles C4'-P-C4' energy: -16.964
flat angles P-C4'-P energy: -3.707
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: 6, replica: 2
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -269.439413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.439413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.439413 (E_RNA)
where:
Base-Base interactions energy: -164.557
where: short stacking energy: -81.627
Base-Backbone interact. energy: -0.016
local terms energy: -104.867120
where:
bonds (distance) C4'-P energy: -22.441
bonds (distance) P-C4' energy: -24.177
flat angles C4'-P-C4' energy: -22.073
flat angles P-C4'-P energy: -15.688
tors. eta vs tors. theta energy: -20.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -195.488809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.488809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.488809 (E_RNA)
where:
Base-Base interactions energy: -122.723
where: short stacking energy: -63.988
Base-Backbone interact. energy: 0.922
local terms energy: -73.687553
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -20.955
flat angles C4'-P-C4' energy: -16.236
flat angles P-C4'-P energy: -13.250
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: 8, replica: 7
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -116.357132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.357132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.357132 (E_RNA)
where:
Base-Base interactions energy: -41.628
where: short stacking energy: -38.462
Base-Backbone interact. energy: -1.051
local terms energy: -73.677670
where:
bonds (distance) C4'-P energy: -19.665
bonds (distance) P-C4' energy: -17.235
flat angles C4'-P-C4' energy: -15.609
flat angles P-C4'-P energy: -12.408
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: 42
Temperature: 1.300000
Total energy: -113.688201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.688201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.688201 (E_RNA)
where:
Base-Base interactions energy: -42.685
where: short stacking energy: -41.650
Base-Backbone interact. energy: 0.352
local terms energy: -71.355665
where:
bonds (distance) C4'-P energy: -19.142
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -20.077
flat angles P-C4'-P energy: -8.085
tors. eta vs tors. theta energy: -7.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -106.489975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.489975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.489975 (E_RNA)
where:
Base-Base interactions energy: -39.528
where: short stacking energy: -33.924
Base-Backbone interact. energy: -0.376
local terms energy: -66.586783
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -18.144
flat angles C4'-P-C4' energy: -19.638
flat angles P-C4'-P energy: -12.713
tors. eta vs tors. theta energy: 0.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -368.476472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.476472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.476472 (E_RNA)
where:
Base-Base interactions energy: -253.080
where: short stacking energy: -110.329
Base-Backbone interact. energy: -0.325
local terms energy: -115.071194
where:
bonds (distance) C4'-P energy: -24.316
bonds (distance) P-C4' energy: -19.563
flat angles C4'-P-C4' energy: -24.804
flat angles P-C4'-P energy: -12.193
tors. eta vs tors. theta energy: -34.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -305.220707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.220707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.220707 (E_RNA)
where:
Base-Base interactions energy: -194.462
where: short stacking energy: -89.516
Base-Backbone interact. energy: -0.452
local terms energy: -110.306497
where:
bonds (distance) C4'-P energy: -26.756
bonds (distance) P-C4' energy: -19.585
flat angles C4'-P-C4' energy: -22.981
flat angles P-C4'-P energy: -14.611
tors. eta vs tors. theta energy: -26.374
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: 4
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -292.155147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.155147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.155147 (E_RNA)
where:
Base-Base interactions energy: -199.862
where: short stacking energy: -95.892
Base-Backbone interact. energy: -0.097
local terms energy: -92.195816
where:
bonds (distance) C4'-P energy: -19.716
bonds (distance) P-C4' energy: -16.243
flat angles C4'-P-C4' energy: -20.483
flat angles P-C4'-P energy: -13.417
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: 4, replica: 8
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -275.339555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.339555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.339555 (E_RNA)
where:
Base-Base interactions energy: -171.403
where: short stacking energy: -83.763
Base-Backbone interact. energy: 0.561
local terms energy: -104.497625
where:
bonds (distance) C4'-P energy: -19.413
bonds (distance) P-C4' energy: -20.943
flat angles C4'-P-C4' energy: -25.058
flat angles P-C4'-P energy: -18.822
tors. eta vs tors. theta energy: -20.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -278.800101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.800101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.800101 (E_RNA)
where:
Base-Base interactions energy: -182.162
where: short stacking energy: -88.262
Base-Backbone interact. energy: -0.335
local terms energy: -96.302559
where:
bonds (distance) C4'-P energy: -17.919
bonds (distance) P-C4' energy: -19.941
flat angles C4'-P-C4' energy: -22.509
flat angles P-C4'-P energy: -13.484
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: 6, replica: 2
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -268.795180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.795180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.795180 (E_RNA)
where:
Base-Base interactions energy: -169.405
where: short stacking energy: -84.647
Base-Backbone interact. energy: 0.193
local terms energy: -99.583488
where:
bonds (distance) C4'-P energy: -21.286
bonds (distance) P-C4' energy: -18.628
flat angles C4'-P-C4' energy: -21.136
flat angles P-C4'-P energy: -13.739
tors. eta vs tors. theta energy: -24.794
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: 10
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -253.986547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.986547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.986547 (E_RNA)
where:
Base-Base interactions energy: -167.315
where: short stacking energy: -81.754
Base-Backbone interact. energy: -0.115
local terms energy: -86.556857
where:
bonds (distance) C4'-P energy: -18.638
bonds (distance) P-C4' energy: -20.777
flat angles C4'-P-C4' energy: -15.937
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -20.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -124.212655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.212655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.212655 (E_RNA)
where:
Base-Base interactions energy: -49.766
where: short stacking energy: -45.539
Base-Backbone interact. energy: 0.295
local terms energy: -74.742127
where:
bonds (distance) C4'-P energy: -16.688
bonds (distance) P-C4' energy: -22.496
flat angles C4'-P-C4' energy: -20.852
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -5.910
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: 7
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -118.580998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.580998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.580998 (E_RNA)
where:
Base-Base interactions energy: -44.855
where: short stacking energy: -40.722
Base-Backbone interact. energy: -0.444
local terms energy: -73.281695
where:
bonds (distance) C4'-P energy: -15.078
bonds (distance) P-C4' energy: -24.203
flat angles C4'-P-C4' energy: -21.034
flat angles P-C4'-P energy: -11.809
tors. eta vs tors. theta energy: -1.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -103.747546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.747546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.747546 (E_RNA)
where:
Base-Base interactions energy: -42.688
where: short stacking energy: -30.246
Base-Backbone interact. energy: -0.363
local terms energy: -60.695885
where:
bonds (distance) C4'-P energy: -15.189
bonds (distance) P-C4' energy: -19.728
flat angles C4'-P-C4' energy: -15.389
flat angles P-C4'-P energy: -9.716
tors. eta vs tors. theta energy: -0.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -374.916898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.916898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.916898 (E_RNA)
where:
Base-Base interactions energy: -258.157
where: short stacking energy: -110.299
Base-Backbone interact. energy: -0.165
local terms energy: -116.594712
where:
bonds (distance) C4'-P energy: -25.135
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -23.592
flat angles P-C4'-P energy: -16.227
tors. eta vs tors. theta energy: -34.106
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: 9
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -323.626462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.626462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.626462 (E_RNA)
where:
Base-Base interactions energy: -211.755
where: short stacking energy: -96.827
Base-Backbone interact. energy: -2.152
local terms energy: -109.718844
where:
bonds (distance) C4'-P energy: -16.956
bonds (distance) P-C4' energy: -23.557
flat angles C4'-P-C4' energy: -23.701
flat angles P-C4'-P energy: -17.423
tors. eta vs tors. theta energy: -28.081
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: 4
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -292.045331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.045331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.045331 (E_RNA)
where:
Base-Base interactions energy: -192.446
where: short stacking energy: -94.468
Base-Backbone interact. energy: 2.396
local terms energy: -101.995319
where:
bonds (distance) C4'-P energy: -18.939
bonds (distance) P-C4' energy: -18.202
flat angles C4'-P-C4' energy: -23.832
flat angles P-C4'-P energy: -15.127
tors. eta vs tors. theta energy: -25.895
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: 8
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -280.383440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.383440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.383440 (E_RNA)
where:
Base-Base interactions energy: -178.367
where: short stacking energy: -81.408
Base-Backbone interact. energy: -0.091
local terms energy: -101.924621
where:
bonds (distance) C4'-P energy: -24.843
bonds (distance) P-C4' energy: -23.069
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -17.783
tors. eta vs tors. theta energy: -20.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -273.790039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.790039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.790039 (E_RNA)
where:
Base-Base interactions energy: -170.797
where: short stacking energy: -84.060
Base-Backbone interact. energy: -0.151
local terms energy: -102.841296
where:
bonds (distance) C4'-P energy: -21.995
bonds (distance) P-C4' energy: -24.181
flat angles C4'-P-C4' energy: -22.736
flat angles P-C4'-P energy: -14.899
tors. eta vs tors. theta energy: -19.031
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: 6, replica: 2
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -279.175215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.175215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.175215 (E_RNA)
where:
Base-Base interactions energy: -177.289
where: short stacking energy: -90.361
Base-Backbone interact. energy: -0.201
local terms energy: -101.685481
where:
bonds (distance) C4'-P energy: -22.988
bonds (distance) P-C4' energy: -21.602
flat angles C4'-P-C4' energy: -26.065
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -20.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -246.124968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.124968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.124968 (E_RNA)
where:
Base-Base interactions energy: -151.033
where: short stacking energy: -67.294
Base-Backbone interact. energy: -1.188
local terms energy: -93.903948
where:
bonds (distance) C4'-P energy: -19.158
bonds (distance) P-C4' energy: -24.328
flat angles C4'-P-C4' energy: -18.842
flat angles P-C4'-P energy: -17.557
tors. eta vs tors. theta energy: -14.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -121.863106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.863106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.863106 (E_RNA)
where:
Base-Base interactions energy: -50.236
where: short stacking energy: -37.884
Base-Backbone interact. energy: 1.932
local terms energy: -73.559443
where:
bonds (distance) C4'-P energy: -17.653
bonds (distance) P-C4' energy: -22.886
flat angles C4'-P-C4' energy: -18.303
flat angles P-C4'-P energy: -11.035
tors. eta vs tors. theta energy: -3.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -123.618620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.618620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.618620 (E_RNA)
where:
Base-Base interactions energy: -53.594
where: short stacking energy: -39.636
Base-Backbone interact. energy: -0.224
local terms energy: -69.800905
where:
bonds (distance) C4'-P energy: -21.589
bonds (distance) P-C4' energy: -13.757
flat angles C4'-P-C4' energy: -16.746
flat angles P-C4'-P energy: -13.667
tors. eta vs tors. theta energy: -4.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -106.427486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.427486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.427486 (E_RNA)
where:
Base-Base interactions energy: -41.696
where: short stacking energy: -36.409
Base-Backbone interact. energy: 1.616
local terms energy: -66.347547
where:
bonds (distance) C4'-P energy: -16.006
bonds (distance) P-C4' energy: -25.188
flat angles C4'-P-C4' energy: -20.507
flat angles P-C4'-P energy: -2.086
tors. eta vs tors. theta energy: -2.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -370.660213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.660213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.660213 (E_RNA)
where:
Base-Base interactions energy: -252.837
where: short stacking energy: -114.760
Base-Backbone interact. energy: -0.501
local terms energy: -117.321976
where:
bonds (distance) C4'-P energy: -18.331
bonds (distance) P-C4' energy: -26.060
flat angles C4'-P-C4' energy: -26.247
flat angles P-C4'-P energy: -15.993
tors. eta vs tors. theta energy: -30.691
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: 9
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -345.236076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.236076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.236076 (E_RNA)
where:
Base-Base interactions energy: -230.361
where: short stacking energy: -86.474
Base-Backbone interact. energy: -1.507
local terms energy: -113.368369
where:
bonds (distance) C4'-P energy: -24.320
bonds (distance) P-C4' energy: -21.775
flat angles C4'-P-C4' energy: -21.096
flat angles P-C4'-P energy: -21.823
tors. eta vs tors. theta energy: -24.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -283.667340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.667340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.667340 (E_RNA)
where:
Base-Base interactions energy: -188.695
where: short stacking energy: -98.429
Base-Backbone interact. energy: -0.368
local terms energy: -94.604519
where:
bonds (distance) C4'-P energy: -21.294
bonds (distance) P-C4' energy: -20.376
flat angles C4'-P-C4' energy: -16.664
flat angles P-C4'-P energy: -11.118
tors. eta vs tors. theta energy: -25.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -269.769923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.769923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.769923 (E_RNA)
where:
Base-Base interactions energy: -168.727
where: short stacking energy: -82.098
Base-Backbone interact. energy: -0.498
local terms energy: -100.544467
where:
bonds (distance) C4'-P energy: -18.843
bonds (distance) P-C4' energy: -22.533
flat angles C4'-P-C4' energy: -21.403
flat angles P-C4'-P energy: -16.550
tors. eta vs tors. theta energy: -21.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -277.367551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.367551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.367551 (E_RNA)
where:
Base-Base interactions energy: -179.116
where: short stacking energy: -75.748
Base-Backbone interact. energy: 1.522
local terms energy: -99.773348
where:
bonds (distance) C4'-P energy: -21.025
bonds (distance) P-C4' energy: -18.095
flat angles C4'-P-C4' energy: -23.087
flat angles P-C4'-P energy: -19.488
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: 6, replica: 2
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -267.595239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.595239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.595239 (E_RNA)
where:
Base-Base interactions energy: -170.673
where: short stacking energy: -81.174
Base-Backbone interact. energy: -0.155
local terms energy: -96.767335
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -23.648
flat angles C4'-P-C4' energy: -25.130
flat angles P-C4'-P energy: -12.194
tors. eta vs tors. theta energy: -20.963
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: 7, replica: 10
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -252.981805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.981805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.981805 (E_RNA)
where:
Base-Base interactions energy: -157.217
where: short stacking energy: -72.012
Base-Backbone interact. energy: -0.380
local terms energy: -95.384727
where:
bonds (distance) C4'-P energy: -18.795
bonds (distance) P-C4' energy: -19.135
flat angles C4'-P-C4' energy: -22.158
flat angles P-C4'-P energy: -17.326
tors. eta vs tors. theta energy: -17.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -139.382550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.382550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.382550 (E_RNA)
where:
Base-Base interactions energy: -72.897
where: short stacking energy: -39.255
Base-Backbone interact. energy: -0.160
local terms energy: -66.325962
where:
bonds (distance) C4'-P energy: -15.098
bonds (distance) P-C4' energy: -21.491
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -7.826
tors. eta vs tors. theta energy: -6.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -119.510789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.510789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.510789 (E_RNA)
where:
Base-Base interactions energy: -40.225
where: short stacking energy: -36.686
Base-Backbone interact. energy: -0.292
local terms energy: -78.994182
where:
bonds (distance) C4'-P energy: -23.670
bonds (distance) P-C4' energy: -22.127
flat angles C4'-P-C4' energy: -14.353
flat angles P-C4'-P energy: -15.929
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: 10, replica: 7
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -125.591224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.591224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.591224 (E_RNA)
where:
Base-Base interactions energy: -56.624
where: short stacking energy: -24.883
Base-Backbone interact. energy: -0.336
local terms energy: -68.631330
where:
bonds (distance) C4'-P energy: -21.817
bonds (distance) P-C4' energy: -15.999
flat angles C4'-P-C4' energy: -11.591
flat angles P-C4'-P energy: -15.637
tors. eta vs tors. theta energy: -3.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -368.004647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.004647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.004647 (E_RNA)
where:
Base-Base interactions energy: -244.299
where: short stacking energy: -107.469
Base-Backbone interact. energy: -0.035
local terms energy: -123.670380
where:
bonds (distance) C4'-P energy: -24.792
bonds (distance) P-C4' energy: -25.520
flat angles C4'-P-C4' energy: -23.429
flat angles P-C4'-P energy: -13.258
tors. eta vs tors. theta energy: -36.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -350.471552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.471552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.471552 (E_RNA)
where:
Base-Base interactions energy: -248.573
where: short stacking energy: -89.482
Base-Backbone interact. energy: -0.859
local terms energy: -101.039519
where:
bonds (distance) C4'-P energy: -16.773
bonds (distance) P-C4' energy: -21.241
flat angles C4'-P-C4' energy: -25.707
flat angles P-C4'-P energy: -11.084
tors. eta vs tors. theta energy: -26.234
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: 3, replica: 3
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -290.431647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.431647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.431647 (E_RNA)
where:
Base-Base interactions energy: -179.038
where: short stacking energy: -89.957
Base-Backbone interact. energy: -0.147
local terms energy: -111.246539
where:
bonds (distance) C4'-P energy: -20.369
bonds (distance) P-C4' energy: -24.935
flat angles C4'-P-C4' energy: -24.433
flat angles P-C4'-P energy: -17.638
tors. eta vs tors. theta energy: -23.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -283.547481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.547481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.547481 (E_RNA)
where:
Base-Base interactions energy: -178.035
where: short stacking energy: -76.836
Base-Backbone interact. energy: -0.957
local terms energy: -104.555036
where:
bonds (distance) C4'-P energy: -19.228
bonds (distance) P-C4' energy: -26.490
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -17.086
tors. eta vs tors. theta energy: -25.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -304.791160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.791160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.791160 (E_RNA)
where:
Base-Base interactions energy: -213.947
where: short stacking energy: -98.984
Base-Backbone interact. energy: -0.158
local terms energy: -90.685944
where:
bonds (distance) C4'-P energy: -16.311
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -20.367
flat angles P-C4'-P energy: -16.094
tors. eta vs tors. theta energy: -19.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -271.492172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.492172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.492172 (E_RNA)
where:
Base-Base interactions energy: -172.411
where: short stacking energy: -81.129
Base-Backbone interact. energy: -0.376
local terms energy: -98.705517
where:
bonds (distance) C4'-P energy: -22.400
bonds (distance) P-C4' energy: -20.358
flat angles C4'-P-C4' energy: -23.354
flat angles P-C4'-P energy: -16.059
tors. eta vs tors. theta energy: -16.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -260.434520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.434520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.434520 (E_RNA)
where:
Base-Base interactions energy: -166.246
where: short stacking energy: -68.582
Base-Backbone interact. energy: 0.937
local terms energy: -95.126017
where:
bonds (distance) C4'-P energy: -20.628
bonds (distance) P-C4' energy: -20.949
flat angles C4'-P-C4' energy: -22.949
flat angles P-C4'-P energy: -15.226
tors. eta vs tors. theta energy: -15.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -168.037765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.037765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.037765 (E_RNA)
where:
Base-Base interactions energy: -100.814
where: short stacking energy: -46.263
Base-Backbone interact. energy: -0.354
local terms energy: -66.869690
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -19.601
flat angles C4'-P-C4' energy: -20.346
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -1.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -101.321835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.321835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.321835 (E_RNA)
where:
Base-Base interactions energy: -37.447
where: short stacking energy: -37.447
Base-Backbone interact. energy: 0.241
local terms energy: -64.115925
where:
bonds (distance) C4'-P energy: -21.780
bonds (distance) P-C4' energy: -22.784
flat angles C4'-P-C4' energy: -14.183
flat angles P-C4'-P energy: -6.370
tors. eta vs tors. theta energy: 1.001
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: 6
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -114.036111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.036111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.036111 (E_RNA)
where:
Base-Base interactions energy: -50.877
where: short stacking energy: -35.055
Base-Backbone interact. energy: -0.076
local terms energy: -63.083639
where:
bonds (distance) C4'-P energy: -22.987
bonds (distance) P-C4' energy: -22.000
flat angles C4'-P-C4' energy: -12.055
flat angles P-C4'-P energy: -4.944
tors. eta vs tors. theta energy: -1.097
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: 5
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -376.068222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.068222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.068222 (E_RNA)
where:
Base-Base interactions energy: -257.237
where: short stacking energy: -105.278
Base-Backbone interact. energy: -0.045
local terms energy: -118.786034
where:
bonds (distance) C4'-P energy: -22.276
bonds (distance) P-C4' energy: -22.521
flat angles C4'-P-C4' energy: -25.354
flat angles P-C4'-P energy: -15.821
tors. eta vs tors. theta energy: -32.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -358.807916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.807916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.807916 (E_RNA)
where:
Base-Base interactions energy: -246.446
where: short stacking energy: -101.145
Base-Backbone interact. energy: -1.699
local terms energy: -110.663384
where:
bonds (distance) C4'-P energy: -21.387
bonds (distance) P-C4' energy: -22.911
flat angles C4'-P-C4' energy: -22.786
flat angles P-C4'-P energy: -15.813
tors. eta vs tors. theta energy: -27.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -291.476340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.476340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.476340 (E_RNA)
where:
Base-Base interactions energy: -190.526
where: short stacking energy: -88.864
Base-Backbone interact. energy: -0.150
local terms energy: -100.800184
where:
bonds (distance) C4'-P energy: -21.414
bonds (distance) P-C4' energy: -22.809
flat angles C4'-P-C4' energy: -17.839
flat angles P-C4'-P energy: -14.992
tors. eta vs tors. theta energy: -23.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -282.211816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.211816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.211816 (E_RNA)
where:
Base-Base interactions energy: -179.932
where: short stacking energy: -83.242
Base-Backbone interact. energy: -0.744
local terms energy: -101.535733
where:
bonds (distance) C4'-P energy: -21.397
bonds (distance) P-C4' energy: -20.948
flat angles C4'-P-C4' energy: -22.331
flat angles P-C4'-P energy: -16.607
tors. eta vs tors. theta energy: -20.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -279.354673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.354673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.354673 (E_RNA)
where:
Base-Base interactions energy: -180.959
where: short stacking energy: -71.489
Base-Backbone interact. energy: -0.763
local terms energy: -97.632643
where:
bonds (distance) C4'-P energy: -19.156
bonds (distance) P-C4' energy: -23.565
flat angles C4'-P-C4' energy: -21.386
flat angles P-C4'-P energy: -12.529
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: 6, replica: 10
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -277.281562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.281562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.281562 (E_RNA)
where:
Base-Base interactions energy: -182.829
where: short stacking energy: -73.493
Base-Backbone interact. energy: 0.010
local terms energy: -94.462969
where:
bonds (distance) C4'-P energy: -19.498
bonds (distance) P-C4' energy: -20.043
flat angles C4'-P-C4' energy: -19.523
flat angles P-C4'-P energy: -18.401
tors. eta vs tors. theta energy: -16.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -293.980894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.980894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.980894 (E_RNA)
where:
Base-Base interactions energy: -185.674
where: short stacking energy: -85.350
Base-Backbone interact. energy: -0.053
local terms energy: -108.253861
where:
bonds (distance) C4'-P energy: -22.464
bonds (distance) P-C4' energy: -24.048
flat angles C4'-P-C4' energy: -21.695
flat angles P-C4'-P energy: -17.475
tors. eta vs tors. theta energy: -22.572
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: 8, replica: 1
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -199.355329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.355329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.355329 (E_RNA)
where:
Base-Base interactions energy: -108.605
where: short stacking energy: -51.643
Base-Backbone interact. energy: -0.535
local terms energy: -90.215705
where:
bonds (distance) C4'-P energy: -20.724
bonds (distance) P-C4' energy: -19.518
flat angles C4'-P-C4' energy: -20.567
flat angles P-C4'-P energy: -15.864
tors. eta vs tors. theta energy: -13.544
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: 7
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -117.033272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.033272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.033272 (E_RNA)
where:
Base-Base interactions energy: -38.979
where: short stacking energy: -35.189
Base-Backbone interact. energy: -0.445
local terms energy: -77.609314
where:
bonds (distance) C4'-P energy: -24.063
bonds (distance) P-C4' energy: -20.934
flat angles C4'-P-C4' energy: -17.721
flat angles P-C4'-P energy: -13.619
tors. eta vs tors. theta energy: -1.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -125.018556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.018556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.018556 (E_RNA)
where:
Base-Base interactions energy: -53.225
where: short stacking energy: -39.629
Base-Backbone interact. energy: -0.371
local terms energy: -71.422161
where:
bonds (distance) C4'-P energy: -18.981
bonds (distance) P-C4' energy: -22.404
flat angles C4'-P-C4' energy: -13.170
flat angles P-C4'-P energy: -15.515
tors. eta vs tors. theta energy: -1.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -369.699915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.699915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.699915 (E_RNA)
where:
Base-Base interactions energy: -242.181
where: short stacking energy: -105.424
Base-Backbone interact. energy: -0.117
local terms energy: -127.402307
where:
bonds (distance) C4'-P energy: -22.111
bonds (distance) P-C4' energy: -27.449
flat angles C4'-P-C4' energy: -27.893
flat angles P-C4'-P energy: -18.929
tors. eta vs tors. theta energy: -31.021
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: 9
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -345.418796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.418796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.418796 (E_RNA)
where:
Base-Base interactions energy: -236.094
where: short stacking energy: -86.225
Base-Backbone interact. energy: -0.803
local terms energy: -108.522665
where:
bonds (distance) C4'-P energy: -23.067
bonds (distance) P-C4' energy: -19.636
flat angles C4'-P-C4' energy: -23.479
flat angles P-C4'-P energy: -16.819
tors. eta vs tors. theta energy: -25.521
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: 4
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -307.789180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.789180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.789180 (E_RNA)
where:
Base-Base interactions energy: -190.790
where: short stacking energy: -104.639
Base-Backbone interact. energy: -0.006
local terms energy: -116.992859
where:
bonds (distance) C4'-P energy: -21.165
bonds (distance) P-C4' energy: -23.827
flat angles C4'-P-C4' energy: -23.943
flat angles P-C4'-P energy: -15.783
tors. eta vs tors. theta energy: -32.274
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: 3
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -289.213842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.213842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.213842 (E_RNA)
where:
Base-Base interactions energy: -189.082
where: short stacking energy: -95.248
Base-Backbone interact. energy: -0.627
local terms energy: -99.504958
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -24.983
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -17.961
tors. eta vs tors. theta energy: -24.923
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: 10
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -268.948465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.948465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.948465 (E_RNA)
where:
Base-Base interactions energy: -181.304
where: short stacking energy: -87.665
Base-Backbone interact. energy: 1.073
local terms energy: -88.716960
where:
bonds (distance) C4'-P energy: -17.673
bonds (distance) P-C4' energy: -19.779
flat angles C4'-P-C4' energy: -20.798
flat angles P-C4'-P energy: -6.480
tors. eta vs tors. theta energy: -23.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -268.128460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.128460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.128460 (E_RNA)
where:
Base-Base interactions energy: -165.523
where: short stacking energy: -85.886
Base-Backbone interact. energy: -0.606
local terms energy: -102.000329
where:
bonds (distance) C4'-P energy: -22.649
bonds (distance) P-C4' energy: -24.204
flat angles C4'-P-C4' energy: -18.145
flat angles P-C4'-P energy: -13.869
tors. eta vs tors. theta energy: -23.134
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: 2
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -259.321146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.321146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.321146 (E_RNA)
where:
Base-Base interactions energy: -158.533
where: short stacking energy: -69.328
Base-Backbone interact. energy: -0.175
local terms energy: -100.613291
where:
bonds (distance) C4'-P energy: -21.405
bonds (distance) P-C4' energy: -23.839
flat angles C4'-P-C4' energy: -20.805
flat angles P-C4'-P energy: -12.883
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: 8, replica: 1
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -202.271458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.271458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.271458 (E_RNA)
where:
Base-Base interactions energy: -118.876
where: short stacking energy: -54.926
Base-Backbone interact. energy: -0.212
local terms energy: -83.182958
where:
bonds (distance) C4'-P energy: -22.367
bonds (distance) P-C4' energy: -16.282
flat angles C4'-P-C4' energy: -21.940
flat angles P-C4'-P energy: -12.086
tors. eta vs tors. theta energy: -10.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -112.126021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.126021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.126021 (E_RNA)
where:
Base-Base interactions energy: -63.176
where: short stacking energy: -31.329
Base-Backbone interact. energy: -0.550
local terms energy: -48.399601
where:
bonds (distance) C4'-P energy: -14.286
bonds (distance) P-C4' energy: -20.108
flat angles C4'-P-C4' energy: -12.693
flat angles P-C4'-P energy: -1.748
tors. eta vs tors. theta energy: 0.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -117.017003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.017003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.017003 (E_RNA)
where:
Base-Base interactions energy: -42.947
where: short stacking energy: -34.060
Base-Backbone interact. energy: -1.092
local terms energy: -72.977760
where:
bonds (distance) C4'-P energy: -21.939
bonds (distance) P-C4' energy: -22.202
flat angles C4'-P-C4' energy: -18.558
flat angles P-C4'-P energy: -7.011
tors. eta vs tors. theta energy: -3.268
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: 1, replica: 5
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -373.531276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.531276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.531276 (E_RNA)
where:
Base-Base interactions energy: -260.722
where: short stacking energy: -113.229
Base-Backbone interact. energy: -0.209
local terms energy: -112.600805
where:
bonds (distance) C4'-P energy: -23.756
bonds (distance) P-C4' energy: -20.998
flat angles C4'-P-C4' energy: -19.740
flat angles P-C4'-P energy: -16.196
tors. eta vs tors. theta energy: -31.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -356.891915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.891915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.891915 (E_RNA)
where:
Base-Base interactions energy: -244.998
where: short stacking energy: -107.034
Base-Backbone interact. energy: -0.443
local terms energy: -111.451832
where:
bonds (distance) C4'-P energy: -19.487
bonds (distance) P-C4' energy: -24.027
flat angles C4'-P-C4' energy: -25.331
flat angles P-C4'-P energy: -14.437
tors. eta vs tors. theta energy: -28.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -294.991599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.991599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.991599 (E_RNA)
where:
Base-Base interactions energy: -183.447
where: short stacking energy: -91.176
Base-Backbone interact. energy: -0.105
local terms energy: -111.439236
where:
bonds (distance) C4'-P energy: -21.634
bonds (distance) P-C4' energy: -20.494
flat angles C4'-P-C4' energy: -25.379
flat angles P-C4'-P energy: -17.341
tors. eta vs tors. theta energy: -26.591
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: 10
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -274.434539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.434539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.434539 (E_RNA)
where:
Base-Base interactions energy: -186.042
where: short stacking energy: -95.079
Base-Backbone interact. energy: -0.158
local terms energy: -88.234961
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -22.306
flat angles C4'-P-C4' energy: -20.831
flat angles P-C4'-P energy: -11.564
tors. eta vs tors. theta energy: -19.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -282.796336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.796336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.796336 (E_RNA)
where:
Base-Base interactions energy: -181.803
where: short stacking energy: -86.089
Base-Backbone interact. energy: -0.246
local terms energy: -100.747785
where:
bonds (distance) C4'-P energy: -20.392
bonds (distance) P-C4' energy: -21.375
flat angles C4'-P-C4' energy: -20.017
flat angles P-C4'-P energy: -12.370
tors. eta vs tors. theta energy: -26.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -268.737707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.737707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.737707 (E_RNA)
where:
Base-Base interactions energy: -172.017
where: short stacking energy: -73.324
Base-Backbone interact. energy: -0.320
local terms energy: -96.400866
where:
bonds (distance) C4'-P energy: -20.877
bonds (distance) P-C4' energy: -22.775
flat angles C4'-P-C4' energy: -21.116
flat angles P-C4'-P energy: -14.056
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: 7, replica: 2
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -245.273670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.273670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.273670 (E_RNA)
where:
Base-Base interactions energy: -158.061
where: short stacking energy: -64.834
Base-Backbone interact. energy: -0.824
local terms energy: -86.389060
where:
bonds (distance) C4'-P energy: -20.356
bonds (distance) P-C4' energy: -19.939
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -16.441
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: 8, replica: 1
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -209.587913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.587913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.587913 (E_RNA)
where:
Base-Base interactions energy: -129.271
where: short stacking energy: -66.447
Base-Backbone interact. energy: -0.938
local terms energy: -79.378198
where:
bonds (distance) C4'-P energy: -19.428
bonds (distance) P-C4' energy: -20.442
flat angles C4'-P-C4' energy: -17.015
flat angles P-C4'-P energy: -4.503
tors. eta vs tors. theta energy: -17.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -123.976811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.976811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.976811 (E_RNA)
where:
Base-Base interactions energy: -46.805
where: short stacking energy: -42.832
Base-Backbone interact. energy: -0.337
local terms energy: -76.835278
where:
bonds (distance) C4'-P energy: -24.362
bonds (distance) P-C4' energy: -20.165
flat angles C4'-P-C4' energy: -14.738
flat angles P-C4'-P energy: -13.300
tors. eta vs tors. theta energy: -4.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -111.223735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.223735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.223735 (E_RNA)
where:
Base-Base interactions energy: -41.552
where: short stacking energy: -35.622
Base-Backbone interact. energy: -0.837
local terms energy: -68.835208
where:
bonds (distance) C4'-P energy: -16.061
bonds (distance) P-C4' energy: -18.515
flat angles C4'-P-C4' energy: -18.906
flat angles P-C4'-P energy: -11.112
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: 5
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -365.011508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.011508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.011508 (E_RNA)
where:
Base-Base interactions energy: -250.405
where: short stacking energy: -109.869
Base-Backbone interact. energy: -0.374
local terms energy: -114.231952
where:
bonds (distance) C4'-P energy: -23.970
bonds (distance) P-C4' energy: -24.380
flat angles C4'-P-C4' energy: -25.256
flat angles P-C4'-P energy: -7.215
tors. eta vs tors. theta energy: -33.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -347.419847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.419847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.419847 (E_RNA)
where:
Base-Base interactions energy: -236.660
where: short stacking energy: -100.379
Base-Backbone interact. energy: -1.079
local terms energy: -109.680864
where:
bonds (distance) C4'-P energy: -18.108
bonds (distance) P-C4' energy: -24.514
flat angles C4'-P-C4' energy: -26.361
flat angles P-C4'-P energy: -15.334
tors. eta vs tors. theta energy: -25.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -306.968312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.968312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.968312 (E_RNA)
where:
Base-Base interactions energy: -213.744
where: short stacking energy: -101.723
Base-Backbone interact. energy: 1.847
local terms energy: -95.070770
where:
bonds (distance) C4'-P energy: -18.865
bonds (distance) P-C4' energy: -20.880
flat angles C4'-P-C4' energy: -20.159
flat angles P-C4'-P energy: -12.156
tors. eta vs tors. theta energy: -23.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -282.382833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.382833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.382833 (E_RNA)
where:
Base-Base interactions energy: -179.400
where: short stacking energy: -94.827
Base-Backbone interact. energy: 0.158
local terms energy: -103.140997
where:
bonds (distance) C4'-P energy: -23.073
bonds (distance) P-C4' energy: -19.128
flat angles C4'-P-C4' energy: -22.781
flat angles P-C4'-P energy: -13.187
tors. eta vs tors. theta energy: -24.972
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: 8
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -266.350376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.350376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.350376 (E_RNA)
where:
Base-Base interactions energy: -180.689
where: short stacking energy: -86.027
Base-Backbone interact. energy: 2.557
local terms energy: -88.218837
where:
bonds (distance) C4'-P energy: -17.945
bonds (distance) P-C4' energy: -17.367
flat angles C4'-P-C4' energy: -15.169
flat angles P-C4'-P energy: -14.874
tors. eta vs tors. theta energy: -22.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -274.397653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.397653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.397653 (E_RNA)
where:
Base-Base interactions energy: -168.482
where: short stacking energy: -78.957
Base-Backbone interact. energy: 1.187
local terms energy: -107.102306
where:
bonds (distance) C4'-P energy: -21.594
bonds (distance) P-C4' energy: -28.215
flat angles C4'-P-C4' energy: -20.990
flat angles P-C4'-P energy: -17.751
tors. eta vs tors. theta energy: -18.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -239.535802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.535802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.535802 (E_RNA)
where:
Base-Base interactions energy: -154.642
where: short stacking energy: -65.707
Base-Backbone interact. energy: 0.449
local terms energy: -85.342863
where:
bonds (distance) C4'-P energy: -17.739
bonds (distance) P-C4' energy: -21.802
flat angles C4'-P-C4' energy: -17.642
flat angles P-C4'-P energy: -17.252
tors. eta vs tors. theta energy: -10.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -252.317395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.317395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.317395 (E_RNA)
where:
Base-Base interactions energy: -160.770
where: short stacking energy: -76.033
Base-Backbone interact. energy: -0.195
local terms energy: -91.351971
where:
bonds (distance) C4'-P energy: -21.468
bonds (distance) P-C4' energy: -20.150
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -15.161
tors. eta vs tors. theta energy: -18.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -118.736798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.736798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.736798 (E_RNA)
where:
Base-Base interactions energy: -39.478
where: short stacking energy: -35.982
Base-Backbone interact. energy: -0.119
local terms energy: -79.139751
where:
bonds (distance) C4'-P energy: -19.128
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -23.563
flat angles P-C4'-P energy: -12.750
tors. eta vs tors. theta energy: -8.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -107.372221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.372221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.372221 (E_RNA)
where:
Base-Base interactions energy: -38.527
where: short stacking energy: -35.049
Base-Backbone interact. energy: 0.985
local terms energy: -69.829729
where:
bonds (distance) C4'-P energy: -21.046
bonds (distance) P-C4' energy: -21.922
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -10.884
tors. eta vs tors. theta energy: -0.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -373.265968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.265968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.265968 (E_RNA)
where:
Base-Base interactions energy: -256.985
where: short stacking energy: -115.893
Base-Backbone interact. energy: -0.017
local terms energy: -116.264769
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -24.711
flat angles C4'-P-C4' energy: -23.625
flat angles P-C4'-P energy: -18.379
tors. eta vs tors. theta energy: -33.473
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: 9
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -351.988463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.988463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.988463 (E_RNA)
where:
Base-Base interactions energy: -244.584
where: short stacking energy: -95.635
Base-Backbone interact. energy: 1.696
local terms energy: -109.100231
where:
bonds (distance) C4'-P energy: -19.424
bonds (distance) P-C4' energy: -18.012
flat angles C4'-P-C4' energy: -24.087
flat angles P-C4'-P energy: -19.902
tors. eta vs tors. theta energy: -27.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -293.066267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.066267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.066267 (E_RNA)
where:
Base-Base interactions energy: -183.873
where: short stacking energy: -83.436
Base-Backbone interact. energy: -0.123
local terms energy: -109.070075
where:
bonds (distance) C4'-P energy: -18.716
bonds (distance) P-C4' energy: -21.116
flat angles C4'-P-C4' energy: -25.749
flat angles P-C4'-P energy: -17.168
tors. eta vs tors. theta energy: -26.321
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: 8
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -275.089197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.089197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.089197 (E_RNA)
where:
Base-Base interactions energy: -166.390
where: short stacking energy: -85.647
Base-Backbone interact. energy: -0.140
local terms energy: -108.559217
where:
bonds (distance) C4'-P energy: -23.990
bonds (distance) P-C4' energy: -21.296
flat angles C4'-P-C4' energy: -25.100
flat angles P-C4'-P energy: -16.835
tors. eta vs tors. theta energy: -21.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -274.088425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.088425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.088425 (E_RNA)
where:
Base-Base interactions energy: -177.518
where: short stacking energy: -93.333
Base-Backbone interact. energy: 0.150
local terms energy: -96.720586
where:
bonds (distance) C4'-P energy: -21.589
bonds (distance) P-C4' energy: -19.356
flat angles C4'-P-C4' energy: -22.425
flat angles P-C4'-P energy: -14.419
tors. eta vs tors. theta energy: -18.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -274.288256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.288256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.288256 (E_RNA)
where:
Base-Base interactions energy: -177.412
where: short stacking energy: -91.394
Base-Backbone interact. energy: -0.762
local terms energy: -96.114514
where:
bonds (distance) C4'-P energy: -16.142
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -20.827
flat angles P-C4'-P energy: -15.704
tors. eta vs tors. theta energy: -27.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -267.974343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.974343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.974343 (E_RNA)
where:
Base-Base interactions energy: -170.524
where: short stacking energy: -82.100
Base-Backbone interact. energy: -0.226
local terms energy: -97.224122
where:
bonds (distance) C4'-P energy: -16.519
bonds (distance) P-C4' energy: -21.038
flat angles C4'-P-C4' energy: -26.371
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: -24.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -239.470318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.470318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.470318 (E_RNA)
where:
Base-Base interactions energy: -156.295
where: short stacking energy: -77.475
Base-Backbone interact. energy: -0.067
local terms energy: -83.108789
where:
bonds (distance) C4'-P energy: -15.804
bonds (distance) P-C4' energy: -11.283
flat angles C4'-P-C4' energy: -25.811
flat angles P-C4'-P energy: -14.176
tors. eta vs tors. theta energy: -16.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -117.559746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.559746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.559746 (E_RNA)
where:
Base-Base interactions energy: -35.366
where: short stacking energy: -32.870
Base-Backbone interact. energy: -0.391
local terms energy: -81.802453
where:
bonds (distance) C4'-P energy: -22.516
bonds (distance) P-C4' energy: -19.553
flat angles C4'-P-C4' energy: -20.617
flat angles P-C4'-P energy: -12.501
tors. eta vs tors. theta energy: -6.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -105.079536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.079536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.079536 (E_RNA)
where:
Base-Base interactions energy: -52.254
where: short stacking energy: -32.382
Base-Backbone interact. energy: 1.212
local terms energy: -54.036799
where:
bonds (distance) C4'-P energy: -13.172
bonds (distance) P-C4' energy: -20.636
flat angles C4'-P-C4' energy: -16.283
flat angles P-C4'-P energy: -6.178
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: 9
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -353.088113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.088113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.088113 (E_RNA)
where:
Base-Base interactions energy: -234.281
where: short stacking energy: -98.759
Base-Backbone interact. energy: -1.452
local terms energy: -117.355689
where:
bonds (distance) C4'-P energy: -25.724
bonds (distance) P-C4' energy: -25.235
flat angles C4'-P-C4' energy: -21.866
flat angles P-C4'-P energy: -15.876
tors. eta vs tors. theta energy: -28.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -369.216238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.216238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.216238 (E_RNA)
where:
Base-Base interactions energy: -246.689
where: short stacking energy: -103.016
Base-Backbone interact. energy: 0.000
local terms energy: -122.527108
where:
bonds (distance) C4'-P energy: -25.988
bonds (distance) P-C4' energy: -25.029
flat angles C4'-P-C4' energy: -24.415
flat angles P-C4'-P energy: -14.241
tors. eta vs tors. theta energy: -32.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -286.774509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.774509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.774509 (E_RNA)
where:
Base-Base interactions energy: -182.835
where: short stacking energy: -85.013
Base-Backbone interact. energy: 0.092
local terms energy: -104.031351
where:
bonds (distance) C4'-P energy: -23.447
bonds (distance) P-C4' energy: -17.845
flat angles C4'-P-C4' energy: -26.954
flat angles P-C4'-P energy: -16.250
tors. eta vs tors. theta energy: -19.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -279.476348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.476348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.476348 (E_RNA)
where:
Base-Base interactions energy: -179.015
where: short stacking energy: -89.037
Base-Backbone interact. energy: -0.176
local terms energy: -100.286191
where:
bonds (distance) C4'-P energy: -22.624
bonds (distance) P-C4' energy: -16.340
flat angles C4'-P-C4' energy: -22.157
flat angles P-C4'-P energy: -17.956
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: 5, replica: 3
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -277.208495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.208495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.208495 (E_RNA)
where:
Base-Base interactions energy: -171.200
where: short stacking energy: -89.769
Base-Backbone interact. energy: -0.138
local terms energy: -105.870697
where:
bonds (distance) C4'-P energy: -20.881
bonds (distance) P-C4' energy: -21.196
flat angles C4'-P-C4' energy: -23.452
flat angles P-C4'-P energy: -14.468
tors. eta vs tors. theta energy: -25.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -240.880934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.880934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.880934 (E_RNA)
where:
Base-Base interactions energy: -153.433
where: short stacking energy: -67.316
Base-Backbone interact. energy: 0.625
local terms energy: -88.073325
where:
bonds (distance) C4'-P energy: -17.103
bonds (distance) P-C4' energy: -25.132
flat angles C4'-P-C4' energy: -18.120
flat angles P-C4'-P energy: -14.358
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: 7, replica: 2
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -257.285150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.285150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.285150 (E_RNA)
where:
Base-Base interactions energy: -167.553
where: short stacking energy: -71.801
Base-Backbone interact. energy: -0.016
local terms energy: -89.716505
where:
bonds (distance) C4'-P energy: -22.583
bonds (distance) P-C4' energy: -11.534
flat angles C4'-P-C4' energy: -18.559
flat angles P-C4'-P energy: -14.871
tors. eta vs tors. theta energy: -22.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -257.608653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.608653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.608653 (E_RNA)
where:
Base-Base interactions energy: -157.985
where: short stacking energy: -78.768
Base-Backbone interact. energy: -1.319
local terms energy: -98.304104
where:
bonds (distance) C4'-P energy: -23.713
bonds (distance) P-C4' energy: -19.244
flat angles C4'-P-C4' energy: -25.356
flat angles P-C4'-P energy: -10.943
tors. eta vs tors. theta energy: -19.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -114.969539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.969539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.969539 (E_RNA)
where:
Base-Base interactions energy: -55.730
where: short stacking energy: -33.881
Base-Backbone interact. energy: -0.415
local terms energy: -58.824920
where:
bonds (distance) C4'-P energy: -18.878
bonds (distance) P-C4' energy: -22.946
flat angles C4'-P-C4' energy: -13.128
flat angles P-C4'-P energy: -5.230
tors. eta vs tors. theta energy: 1.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -113.577143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.577143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.577143 (E_RNA)
where:
Base-Base interactions energy: -45.722
where: short stacking energy: -42.113
Base-Backbone interact. energy: -0.689
local terms energy: -67.165848
where:
bonds (distance) C4'-P energy: -10.310
bonds (distance) P-C4' energy: -25.791
flat angles C4'-P-C4' energy: -21.645
flat angles P-C4'-P energy: -4.545
tors. eta vs tors. theta energy: -4.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -348.031161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.031161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.031161 (E_RNA)
where:
Base-Base interactions energy: -245.714
where: short stacking energy: -106.687
Base-Backbone interact. energy: -0.396
local terms energy: -101.921563
where:
bonds (distance) C4'-P energy: -21.800
bonds (distance) P-C4' energy: -21.080
flat angles C4'-P-C4' energy: -14.982
flat angles P-C4'-P energy: -17.594
tors. eta vs tors. theta energy: -26.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -358.328158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.328158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.328158 (E_RNA)
where:
Base-Base interactions energy: -243.070
where: short stacking energy: -99.435
Base-Backbone interact. energy: 0.647
local terms energy: -115.905347
where:
bonds (distance) C4'-P energy: -21.231
bonds (distance) P-C4' energy: -23.968
flat angles C4'-P-C4' energy: -21.984
flat angles P-C4'-P energy: -15.086
tors. eta vs tors. theta energy: -33.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -285.437501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.437501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.437501 (E_RNA)
where:
Base-Base interactions energy: -186.263
where: short stacking energy: -94.917
Base-Backbone interact. energy: -0.129
local terms energy: -99.045055
where:
bonds (distance) C4'-P energy: -19.676
bonds (distance) P-C4' energy: -17.770
flat angles C4'-P-C4' energy: -22.747
flat angles P-C4'-P energy: -18.192
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: 3
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -291.709746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.709746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.709746 (E_RNA)
where:
Base-Base interactions energy: -187.870
where: short stacking energy: -79.932
Base-Backbone interact. energy: -1.441
local terms energy: -102.398572
where:
bonds (distance) C4'-P energy: -17.626
bonds (distance) P-C4' energy: -24.697
flat angles C4'-P-C4' energy: -23.572
flat angles P-C4'-P energy: -16.945
tors. eta vs tors. theta energy: -19.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -271.684429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.684429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.684429 (E_RNA)
where:
Base-Base interactions energy: -183.100
where: short stacking energy: -78.242
Base-Backbone interact. energy: -0.048
local terms energy: -88.536293
where:
bonds (distance) C4'-P energy: -16.960
bonds (distance) P-C4' energy: -22.626
flat angles C4'-P-C4' energy: -17.429
flat angles P-C4'-P energy: -14.255
tors. eta vs tors. theta energy: -17.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -272.244693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.244693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.244693 (E_RNA)
where:
Base-Base interactions energy: -177.084
where: short stacking energy: -80.462
Base-Backbone interact. energy: -0.103
local terms energy: -95.057848
where:
bonds (distance) C4'-P energy: -15.077
bonds (distance) P-C4' energy: -20.876
flat angles C4'-P-C4' energy: -21.855
flat angles P-C4'-P energy: -13.458
tors. eta vs tors. theta energy: -23.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -215.982407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.982407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.982407 (E_RNA)
where:
Base-Base interactions energy: -142.249
where: short stacking energy: -76.720
Base-Backbone interact. energy: -0.167
local terms energy: -73.567057
where:
bonds (distance) C4'-P energy: -13.611
bonds (distance) P-C4' energy: -10.934
flat angles C4'-P-C4' energy: -20.257
flat angles P-C4'-P energy: -17.661
tors. eta vs tors. theta energy: -11.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -260.248818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.248818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.248818 (E_RNA)
where:
Base-Base interactions energy: -156.692
where: short stacking energy: -66.728
Base-Backbone interact. energy: -0.390
local terms energy: -103.166329
where:
bonds (distance) C4'-P energy: -22.567
bonds (distance) P-C4' energy: -20.281
flat angles C4'-P-C4' energy: -26.770
flat angles P-C4'-P energy: -12.628
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: 9, replica: 7
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -134.530620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.530620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.530620 (E_RNA)
where:
Base-Base interactions energy: -76.546
where: short stacking energy: -39.518
Base-Backbone interact. energy: -0.390
local terms energy: -57.594454
where:
bonds (distance) C4'-P energy: -19.690
bonds (distance) P-C4' energy: -18.235
flat angles C4'-P-C4' energy: -3.919
flat angles P-C4'-P energy: -14.465
tors. eta vs tors. theta energy: -1.286
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: 10, replica: 6
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -106.515828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.515828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.515828 (E_RNA)
where:
Base-Base interactions energy: -42.680
where: short stacking energy: -34.813
Base-Backbone interact. energy: 0.782
local terms energy: -64.617880
where:
bonds (distance) C4'-P energy: -23.476
bonds (distance) P-C4' energy: -18.894
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: 3.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -366.074508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.074508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.074508 (E_RNA)
where:
Base-Base interactions energy: -247.308
where: short stacking energy: -109.059
Base-Backbone interact. energy: -0.271
local terms energy: -118.495458
where:
bonds (distance) C4'-P energy: -16.588
bonds (distance) P-C4' energy: -24.416
flat angles C4'-P-C4' energy: -27.764
flat angles P-C4'-P energy: -20.566
tors. eta vs tors. theta energy: -29.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -337.880759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.880759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.880759 (E_RNA)
where:
Base-Base interactions energy: -235.227
where: short stacking energy: -93.200
Base-Backbone interact. energy: 0.384
local terms energy: -103.038021
where:
bonds (distance) C4'-P energy: -20.952
bonds (distance) P-C4' energy: -26.277
flat angles C4'-P-C4' energy: -18.210
flat angles P-C4'-P energy: -13.760
tors. eta vs tors. theta energy: -23.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -307.077625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.077625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.077625 (E_RNA)
where:
Base-Base interactions energy: -201.892
where: short stacking energy: -98.813
Base-Backbone interact. energy: -0.102
local terms energy: -105.083377
where:
bonds (distance) C4'-P energy: -17.693
bonds (distance) P-C4' energy: -18.460
flat angles C4'-P-C4' energy: -20.594
flat angles P-C4'-P energy: -17.223
tors. eta vs tors. theta energy: -31.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -302.847768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.847768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.847768 (E_RNA)
where:
Base-Base interactions energy: -192.918
where: short stacking energy: -95.845
Base-Backbone interact. energy: -0.158
local terms energy: -109.771818
where:
bonds (distance) C4'-P energy: -17.596
bonds (distance) P-C4' energy: -22.769
flat angles C4'-P-C4' energy: -25.164
flat angles P-C4'-P energy: -15.280
tors. eta vs tors. theta energy: -28.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -277.297928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.297928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.297928 (E_RNA)
where:
Base-Base interactions energy: -180.280
where: short stacking energy: -69.338
Base-Backbone interact. energy: -0.016
local terms energy: -97.002188
where:
bonds (distance) C4'-P energy: -21.046
bonds (distance) P-C4' energy: -23.059
flat angles C4'-P-C4' energy: -20.289
flat angles P-C4'-P energy: -12.526
tors. eta vs tors. theta energy: -20.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -256.319540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.319540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.319540 (E_RNA)
where:
Base-Base interactions energy: -166.574
where: short stacking energy: -70.684
Base-Backbone interact. energy: -0.117
local terms energy: -89.628289
where:
bonds (distance) C4'-P energy: -17.919
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -24.549
flat angles P-C4'-P energy: -13.803
tors. eta vs tors. theta energy: -16.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -254.041386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.041386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.041386 (E_RNA)
where:
Base-Base interactions energy: -155.609
where: short stacking energy: -72.235
Base-Backbone interact. energy: -0.505
local terms energy: -97.927736
where:
bonds (distance) C4'-P energy: -21.473
bonds (distance) P-C4' energy: -22.400
flat angles C4'-P-C4' energy: -22.365
flat angles P-C4'-P energy: -15.818
tors. eta vs tors. theta energy: -15.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -245.480183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.480183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.480183 (E_RNA)
where:
Base-Base interactions energy: -156.494
where: short stacking energy: -64.571
Base-Backbone interact. energy: 0.572
local terms energy: -89.557294
where:
bonds (distance) C4'-P energy: -20.190
bonds (distance) P-C4' energy: -22.771
flat angles C4'-P-C4' energy: -20.174
flat angles P-C4'-P energy: -9.806
tors. eta vs tors. theta energy: -16.617
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: 7
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -205.775105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.775105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.775105 (E_RNA)
where:
Base-Base interactions energy: -125.122
where: short stacking energy: -48.404
Base-Backbone interact. energy: -1.074
local terms energy: -79.578818
where:
bonds (distance) C4'-P energy: -22.027
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -19.170
flat angles P-C4'-P energy: -15.464
tors. eta vs tors. theta energy: -9.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -115.322459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.322459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.322459 (E_RNA)
where:
Base-Base interactions energy: -47.445
where: short stacking energy: -40.914
Base-Backbone interact. energy: -0.795
local terms energy: -67.082365
where:
bonds (distance) C4'-P energy: -13.791
bonds (distance) P-C4' energy: -25.936
flat angles C4'-P-C4' energy: -11.080
flat angles P-C4'-P energy: -14.273
tors. eta vs tors. theta energy: -2.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -371.192730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.192730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.192730 (E_RNA)
where:
Base-Base interactions energy: -253.870
where: short stacking energy: -120.504
Base-Backbone interact. energy: -0.434
local terms energy: -116.888545
where:
bonds (distance) C4'-P energy: -20.836
bonds (distance) P-C4' energy: -21.937
flat angles C4'-P-C4' energy: -25.941
flat angles P-C4'-P energy: -15.447
tors. eta vs tors. theta energy: -32.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -354.424186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.424186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.424186 (E_RNA)
where:
Base-Base interactions energy: -248.356
where: short stacking energy: -96.474
Base-Backbone interact. energy: 0.965
local terms energy: -107.033673
where:
bonds (distance) C4'-P energy: -21.369
bonds (distance) P-C4' energy: -25.745
flat angles C4'-P-C4' energy: -25.091
flat angles P-C4'-P energy: -14.931
tors. eta vs tors. theta energy: -19.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -327.674442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.674442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.674442 (E_RNA)
where:
Base-Base interactions energy: -216.083
where: short stacking energy: -101.123
Base-Backbone interact. energy: -0.174
local terms energy: -111.417524
where:
bonds (distance) C4'-P energy: -24.449
bonds (distance) P-C4' energy: -21.606
flat angles C4'-P-C4' energy: -24.401
flat angles P-C4'-P energy: -12.673
tors. eta vs tors. theta energy: -28.287
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: 2
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -273.253110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.253110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.253110 (E_RNA)
where:
Base-Base interactions energy: -172.999
where: short stacking energy: -75.106
Base-Backbone interact. energy: 0.689
local terms energy: -100.943525
where:
bonds (distance) C4'-P energy: -19.966
bonds (distance) P-C4' energy: -24.824
flat angles C4'-P-C4' energy: -23.089
flat angles P-C4'-P energy: -15.506
tors. eta vs tors. theta energy: -17.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -296.527556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.527556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.527556 (E_RNA)
where:
Base-Base interactions energy: -182.080
where: short stacking energy: -98.243
Base-Backbone interact. energy: -0.034
local terms energy: -114.414310
where:
bonds (distance) C4'-P energy: -20.214
bonds (distance) P-C4' energy: -23.757
flat angles C4'-P-C4' energy: -20.198
flat angles P-C4'-P energy: -19.532
tors. eta vs tors. theta energy: -30.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -267.756816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.756816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.756816 (E_RNA)
where:
Base-Base interactions energy: -176.003
where: short stacking energy: -78.740
Base-Backbone interact. energy: -0.318
local terms energy: -91.436692
where:
bonds (distance) C4'-P energy: -17.707
bonds (distance) P-C4' energy: -21.022
flat angles C4'-P-C4' energy: -20.952
flat angles P-C4'-P energy: -15.037
tors. eta vs tors. theta energy: -16.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -256.539831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.539831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.539831 (E_RNA)
where:
Base-Base interactions energy: -164.897
where: short stacking energy: -76.729
Base-Backbone interact. energy: -0.192
local terms energy: -91.450574
where:
bonds (distance) C4'-P energy: -18.127
bonds (distance) P-C4' energy: -24.303
flat angles C4'-P-C4' energy: -19.794
flat angles P-C4'-P energy: -12.732
tors. eta vs tors. theta energy: -16.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -265.203059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.203059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.203059 (E_RNA)
where:
Base-Base interactions energy: -170.015
where: short stacking energy: -75.309
Base-Backbone interact. energy: 0.975
local terms energy: -96.163210
where:
bonds (distance) C4'-P energy: -23.691
bonds (distance) P-C4' energy: -18.715
flat angles C4'-P-C4' energy: -19.287
flat angles P-C4'-P energy: -16.295
tors. eta vs tors. theta energy: -18.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -205.783191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.783191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.783191 (E_RNA)
where:
Base-Base interactions energy: -109.030
where: short stacking energy: -63.875
Base-Backbone interact. energy: -0.053
local terms energy: -96.700249
where:
bonds (distance) C4'-P energy: -25.241
bonds (distance) P-C4' energy: -24.576
flat angles C4'-P-C4' energy: -20.380
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: -16.127
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: 6
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -113.334996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.334996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.334996 (E_RNA)
where:
Base-Base interactions energy: -43.486
where: short stacking energy: -31.748
Base-Backbone interact. energy: 0.759
local terms energy: -70.607858
where:
bonds (distance) C4'-P energy: -19.680
bonds (distance) P-C4' energy: -17.979
flat angles C4'-P-C4' energy: -19.865
flat angles P-C4'-P energy: -17.469
tors. eta vs tors. theta energy: 4.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -372.670682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.670682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.670682 (E_RNA)
where:
Base-Base interactions energy: -250.625
where: short stacking energy: -108.407
Base-Backbone interact. energy: 2.142
local terms energy: -124.187742
where:
bonds (distance) C4'-P energy: -23.708
bonds (distance) P-C4' energy: -23.256
flat angles C4'-P-C4' energy: -22.762
flat angles P-C4'-P energy: -20.075
tors. eta vs tors. theta energy: -34.386
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: 9
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -359.093305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.093305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.093305 (E_RNA)
where:
Base-Base interactions energy: -246.135
where: short stacking energy: -90.937
Base-Backbone interact. energy: -0.882
local terms energy: -112.076786
where:
bonds (distance) C4'-P energy: -17.999
bonds (distance) P-C4' energy: -25.830
flat angles C4'-P-C4' energy: -26.121
flat angles P-C4'-P energy: -15.773
tors. eta vs tors. theta energy: -26.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -316.486086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.486086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.486086 (E_RNA)
where:
Base-Base interactions energy: -201.434
where: short stacking energy: -101.080
Base-Backbone interact. energy: -0.902
local terms energy: -114.149850
where:
bonds (distance) C4'-P energy: -23.364
bonds (distance) P-C4' energy: -22.972
flat angles C4'-P-C4' energy: -24.281
flat angles P-C4'-P energy: -11.941
tors. eta vs tors. theta energy: -31.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -272.657243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.657243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.657243 (E_RNA)
where:
Base-Base interactions energy: -177.677
where: short stacking energy: -76.596
Base-Backbone interact. energy: 0.502
local terms energy: -95.481986
where:
bonds (distance) C4'-P energy: -17.218
bonds (distance) P-C4' energy: -19.824
flat angles C4'-P-C4' energy: -23.293
flat angles P-C4'-P energy: -19.060
tors. eta vs tors. theta energy: -16.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -290.168387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.168387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.168387 (E_RNA)
where:
Base-Base interactions energy: -184.579
where: short stacking energy: -86.132
Base-Backbone interact. energy: -0.335
local terms energy: -105.254150
where:
bonds (distance) C4'-P energy: -19.568
bonds (distance) P-C4' energy: -23.320
flat angles C4'-P-C4' energy: -27.201
flat angles P-C4'-P energy: -16.036
tors. eta vs tors. theta energy: -19.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -271.090797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.090797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.090797 (E_RNA)
where:
Base-Base interactions energy: -176.269
where: short stacking energy: -77.039
Base-Backbone interact. energy: 1.466
local terms energy: -96.286885
where:
bonds (distance) C4'-P energy: -22.515
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -22.033
flat angles P-C4'-P energy: -14.929
tors. eta vs tors. theta energy: -20.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -251.787983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.787983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.787983 (E_RNA)
where:
Base-Base interactions energy: -163.848
where: short stacking energy: -76.062
Base-Backbone interact. energy: 1.092
local terms energy: -89.032146
where:
bonds (distance) C4'-P energy: -20.768
bonds (distance) P-C4' energy: -21.488
flat angles C4'-P-C4' energy: -16.586
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: -19.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -227.987784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.987784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.987784 (E_RNA)
where:
Base-Base interactions energy: -140.336
where: short stacking energy: -55.531
Base-Backbone interact. energy: -0.669
local terms energy: -86.982667
where:
bonds (distance) C4'-P energy: -22.363
bonds (distance) P-C4' energy: -21.276
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -15.699
tors. eta vs tors. theta energy: -13.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -201.618661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.618661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.618661 (E_RNA)
where:
Base-Base interactions energy: -129.793
where: short stacking energy: -62.283
Base-Backbone interact. energy: -0.251
local terms energy: -71.575140
where:
bonds (distance) C4'-P energy: -15.144
bonds (distance) P-C4' energy: -18.493
flat angles C4'-P-C4' energy: -17.135
flat angles P-C4'-P energy: -12.407
tors. eta vs tors. theta energy: -8.396
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: 10, replica: 6
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -123.291843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.291843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.291843 (E_RNA)
where:
Base-Base interactions energy: -56.178
where: short stacking energy: -37.301
Base-Backbone interact. energy: -0.442
local terms energy: -66.671903
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -18.121
flat angles C4'-P-C4' energy: -16.173
flat angles P-C4'-P energy: -14.353
tors. eta vs tors. theta energy: -1.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -382.508489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.508489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.508489 (E_RNA)
where:
Base-Base interactions energy: -265.255
where: short stacking energy: -111.245
Base-Backbone interact. energy: -0.153
local terms energy: -117.100264
where:
bonds (distance) C4'-P energy: -23.834
bonds (distance) P-C4' energy: -20.251
flat angles C4'-P-C4' energy: -22.389
flat angles P-C4'-P energy: -16.686
tors. eta vs tors. theta energy: -33.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -353.499738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.499738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.499738 (E_RNA)
where:
Base-Base interactions energy: -245.402
where: short stacking energy: -97.400
Base-Backbone interact. energy: -0.400
local terms energy: -107.697112
where:
bonds (distance) C4'-P energy: -21.396
bonds (distance) P-C4' energy: -24.414
flat angles C4'-P-C4' energy: -24.597
flat angles P-C4'-P energy: -12.661
tors. eta vs tors. theta energy: -24.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -284.283298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.283298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.283298 (E_RNA)
where:
Base-Base interactions energy: -182.695
where: short stacking energy: -84.727
Base-Backbone interact. energy: -0.395
local terms energy: -101.193899
where:
bonds (distance) C4'-P energy: -20.516
bonds (distance) P-C4' energy: -22.773
flat angles C4'-P-C4' energy: -23.888
flat angles P-C4'-P energy: -16.179
tors. eta vs tors. theta energy: -17.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -268.160205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.160205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.160205 (E_RNA)
where:
Base-Base interactions energy: -169.457
where: short stacking energy: -84.026
Base-Backbone interact. energy: -0.017
local terms energy: -98.686030
where:
bonds (distance) C4'-P energy: -19.084
bonds (distance) P-C4' energy: -21.753
flat angles C4'-P-C4' energy: -22.398
flat angles P-C4'-P energy: -17.132
tors. eta vs tors. theta energy: -18.319
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: 5, replica: 2
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -256.761744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.761744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.761744 (E_RNA)
where:
Base-Base interactions energy: -153.091
where: short stacking energy: -82.447
Base-Backbone interact. energy: -0.143
local terms energy: -103.527443
where:
bonds (distance) C4'-P energy: -21.578
bonds (distance) P-C4' energy: -26.059
flat angles C4'-P-C4' energy: -21.518
flat angles P-C4'-P energy: -15.966
tors. eta vs tors. theta energy: -18.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -287.249420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.249420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.249420 (E_RNA)
where:
Base-Base interactions energy: -191.079
where: short stacking energy: -88.914
Base-Backbone interact. energy: 1.658
local terms energy: -97.828433
where:
bonds (distance) C4'-P energy: -20.060
bonds (distance) P-C4' energy: -19.361
flat angles C4'-P-C4' energy: -22.706
flat angles P-C4'-P energy: -13.970
tors. eta vs tors. theta energy: -21.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -254.976379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.976379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.976379 (E_RNA)
where:
Base-Base interactions energy: -171.896
where: short stacking energy: -75.930
Base-Backbone interact. energy: -0.845
local terms energy: -82.235046
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -20.143
flat angles C4'-P-C4' energy: -23.349
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -15.272
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: 8, replica: 10
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -244.521853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.521853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.521853 (E_RNA)
where:
Base-Base interactions energy: -147.849
where: short stacking energy: -65.593
Base-Backbone interact. energy: -0.031
local terms energy: -96.641858
where:
bonds (distance) C4'-P energy: -22.070
bonds (distance) P-C4' energy: -25.797
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -16.716
tors. eta vs tors. theta energy: -18.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -190.916583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.916583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.916583 (E_RNA)
where:
Base-Base interactions energy: -115.140
where: short stacking energy: -49.984
Base-Backbone interact. energy: -0.217
local terms energy: -75.559584
where:
bonds (distance) C4'-P energy: -19.118
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -19.936
flat angles P-C4'-P energy: -13.032
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: 10, replica: 6
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -112.619021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.619021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.619021 (E_RNA)
where:
Base-Base interactions energy: -45.061
where: short stacking energy: -33.009
Base-Backbone interact. energy: -0.253
local terms energy: -67.304995
where:
bonds (distance) C4'-P energy: -26.167
bonds (distance) P-C4' energy: -18.748
flat angles C4'-P-C4' energy: -8.646
flat angles P-C4'-P energy: -11.169
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: 1, replica: 5
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -367.276685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.276685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.276685 (E_RNA)
where:
Base-Base interactions energy: -255.707
where: short stacking energy: -107.616
Base-Backbone interact. energy: -0.259
local terms energy: -111.311190
where:
bonds (distance) C4'-P energy: -23.022
bonds (distance) P-C4' energy: -20.024
flat angles C4'-P-C4' energy: -21.975
flat angles P-C4'-P energy: -15.371
tors. eta vs tors. theta energy: -30.919
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: 58
Temperature: 0.950000
Total energy: -353.785167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.785167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.785167 (E_RNA)
where:
Base-Base interactions energy: -241.336
where: short stacking energy: -86.864
Base-Backbone interact. energy: -0.479
local terms energy: -111.969279
where:
bonds (distance) C4'-P energy: -24.627
bonds (distance) P-C4' energy: -20.639
flat angles C4'-P-C4' energy: -22.736
flat angles P-C4'-P energy: -21.871
tors. eta vs tors. theta energy: -22.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -284.818936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.818936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.818936 (E_RNA)
where:
Base-Base interactions energy: -186.525
where: short stacking energy: -85.724
Base-Backbone interact. energy: -0.127
local terms energy: -98.166681
where:
bonds (distance) C4'-P energy: -19.226
bonds (distance) P-C4' energy: -24.251
flat angles C4'-P-C4' energy: -21.019
flat angles P-C4'-P energy: -16.651
tors. eta vs tors. theta energy: -17.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -297.797687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.797687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.797687 (E_RNA)
where:
Base-Base interactions energy: -189.698
where: short stacking energy: -84.876
Base-Backbone interact. energy: -0.092
local terms energy: -108.007546
where:
bonds (distance) C4'-P energy: -19.469
bonds (distance) P-C4' energy: -19.345
flat angles C4'-P-C4' energy: -24.770
flat angles P-C4'-P energy: -19.488
tors. eta vs tors. theta energy: -24.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -283.531288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.531288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.531288 (E_RNA)
where:
Base-Base interactions energy: -188.336
where: short stacking energy: -94.055
Base-Backbone interact. energy: 0.166
local terms energy: -95.361120
where:
bonds (distance) C4'-P energy: -22.161
bonds (distance) P-C4' energy: -15.174
flat angles C4'-P-C4' energy: -21.644
flat angles P-C4'-P energy: -13.766
tors. eta vs tors. theta energy: -22.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -240.569159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.569159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.569159 (E_RNA)
where:
Base-Base interactions energy: -150.310
where: short stacking energy: -62.883
Base-Backbone interact. energy: -0.209
local terms energy: -90.049363
where:
bonds (distance) C4'-P energy: -23.500
bonds (distance) P-C4' energy: -18.809
flat angles C4'-P-C4' energy: -22.044
flat angles P-C4'-P energy: -12.961
tors. eta vs tors. theta energy: -12.735
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: 7, replica: 10
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -256.517016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.517016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.517016 (E_RNA)
where:
Base-Base interactions energy: -163.968
where: short stacking energy: -75.603
Base-Backbone interact. energy: -0.086
local terms energy: -92.462905
where:
bonds (distance) C4'-P energy: -20.297
bonds (distance) P-C4' energy: -19.668
flat angles C4'-P-C4' energy: -20.145
flat angles P-C4'-P energy: -13.680
tors. eta vs tors. theta energy: -18.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -247.532526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.532526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.532526 (E_RNA)
where:
Base-Base interactions energy: -164.600
where: short stacking energy: -71.684
Base-Backbone interact. energy: -0.954
local terms energy: -81.978297
where:
bonds (distance) C4'-P energy: -17.912
bonds (distance) P-C4' energy: -24.432
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -12.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -208.427977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.427977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.427977 (E_RNA)
where:
Base-Base interactions energy: -113.709
where: short stacking energy: -61.074
Base-Backbone interact. energy: -0.971
local terms energy: -93.748199
where:
bonds (distance) C4'-P energy: -22.061
bonds (distance) P-C4' energy: -23.585
flat angles C4'-P-C4' energy: -23.051
flat angles P-C4'-P energy: -12.640
tors. eta vs tors. theta energy: -12.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -114.847792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.847792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.847792 (E_RNA)
where:
Base-Base interactions energy: -45.170
where: short stacking energy: -33.106
Base-Backbone interact. energy: -0.385
local terms energy: -69.292964
where:
bonds (distance) C4'-P energy: -20.754
bonds (distance) P-C4' energy: -19.074
flat angles C4'-P-C4' energy: -15.440
flat angles P-C4'-P energy: -15.718
tors. eta vs tors. theta energy: 1.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -378.659999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.659999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.659999 (E_RNA)
where:
Base-Base interactions energy: -257.130
where: short stacking energy: -112.616
Base-Backbone interact. energy: -0.234
local terms energy: -121.296320
where:
bonds (distance) C4'-P energy: -24.524
bonds (distance) P-C4' energy: -22.152
flat angles C4'-P-C4' energy: -23.814
flat angles P-C4'-P energy: -17.794
tors. eta vs tors. theta energy: -33.013
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: 9
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -356.026641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.026641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.026641 (E_RNA)
where:
Base-Base interactions energy: -255.118
where: short stacking energy: -85.420
Base-Backbone interact. energy: 0.128
local terms energy: -101.036704
where:
bonds (distance) C4'-P energy: -16.858
bonds (distance) P-C4' energy: -24.121
flat angles C4'-P-C4' energy: -20.777
flat angles P-C4'-P energy: -16.093
tors. eta vs tors. theta energy: -23.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -295.658359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.658359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.658359 (E_RNA)
where:
Base-Base interactions energy: -200.681
where: short stacking energy: -99.477
Base-Backbone interact. energy: -0.219
local terms energy: -94.757881
where:
bonds (distance) C4'-P energy: -17.532
bonds (distance) P-C4' energy: -22.216
flat angles C4'-P-C4' energy: -19.274
flat angles P-C4'-P energy: -14.979
tors. eta vs tors. theta energy: -20.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -292.877386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.877386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.877386 (E_RNA)
where:
Base-Base interactions energy: -186.616
where: short stacking energy: -99.656
Base-Backbone interact. energy: -1.407
local terms energy: -104.853856
where:
bonds (distance) C4'-P energy: -20.307
bonds (distance) P-C4' energy: -23.189
flat angles C4'-P-C4' energy: -22.776
flat angles P-C4'-P energy: -13.649
tors. eta vs tors. theta energy: -24.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -279.802446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.802446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.802446 (E_RNA)
where:
Base-Base interactions energy: -178.285
where: short stacking energy: -82.090
Base-Backbone interact. energy: -0.125
local terms energy: -101.392329
where:
bonds (distance) C4'-P energy: -18.806
bonds (distance) P-C4' energy: -19.613
flat angles C4'-P-C4' energy: -25.115
flat angles P-C4'-P energy: -16.020
tors. eta vs tors. theta energy: -21.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -270.733695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.733695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.733695 (E_RNA)
where:
Base-Base interactions energy: -174.793
where: short stacking energy: -89.318
Base-Backbone interact. energy: 1.125
local terms energy: -97.065708
where:
bonds (distance) C4'-P energy: -15.544
bonds (distance) P-C4' energy: -20.572
flat angles C4'-P-C4' energy: -21.185
flat angles P-C4'-P energy: -19.484
tors. eta vs tors. theta energy: -20.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -254.278149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.278149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.278149 (E_RNA)
where:
Base-Base interactions energy: -176.653
where: short stacking energy: -71.174
Base-Backbone interact. energy: 0.820
local terms energy: -78.445588
where:
bonds (distance) C4'-P energy: -19.415
bonds (distance) P-C4' energy: -24.222
flat angles C4'-P-C4' energy: -21.752
flat angles P-C4'-P energy: 0.196
tors. eta vs tors. theta energy: -13.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -246.625565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.625565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.625565 (E_RNA)
where:
Base-Base interactions energy: -153.725
where: short stacking energy: -71.352
Base-Backbone interact. energy: -0.463
local terms energy: -92.437465
where:
bonds (distance) C4'-P energy: -19.370
bonds (distance) P-C4' energy: -22.734
flat angles C4'-P-C4' energy: -25.864
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: -15.610
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: 7
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -208.171743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.171743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.171743 (E_RNA)
where:
Base-Base interactions energy: -143.166
where: short stacking energy: -64.401
Base-Backbone interact. energy: -0.339
local terms energy: -64.666953
where:
bonds (distance) C4'-P energy: -19.072
bonds (distance) P-C4' energy: -9.268
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -8.932
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: 10, replica: 6
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -117.127706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.127706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.127706 (E_RNA)
where:
Base-Base interactions energy: -56.843
where: short stacking energy: -42.046
Base-Backbone interact. energy: 0.587
local terms energy: -60.870889
where:
bonds (distance) C4'-P energy: -18.369
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -17.161
flat angles P-C4'-P energy: -7.680
tors. eta vs tors. theta energy: 0.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -368.981051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.981051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.981051 (E_RNA)
where:
Base-Base interactions energy: -259.192
where: short stacking energy: -113.559
Base-Backbone interact. energy: -0.204
local terms energy: -109.585338
where:
bonds (distance) C4'-P energy: -22.156
bonds (distance) P-C4' energy: -19.279
flat angles C4'-P-C4' energy: -23.884
flat angles P-C4'-P energy: -14.149
tors. eta vs tors. theta energy: -30.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -353.167981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.167981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.167981 (E_RNA)
where:
Base-Base interactions energy: -254.967
where: short stacking energy: -110.225
Base-Backbone interact. energy: -0.224
local terms energy: -97.977219
where:
bonds (distance) C4'-P energy: -21.196
bonds (distance) P-C4' energy: -24.510
flat angles C4'-P-C4' energy: -17.199
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: -24.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -299.104027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.104027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.104027 (E_RNA)
where:
Base-Base interactions energy: -202.052
where: short stacking energy: -91.216
Base-Backbone interact. energy: -0.742
local terms energy: -96.310523
where:
bonds (distance) C4'-P energy: -7.441
bonds (distance) P-C4' energy: -28.405
flat angles C4'-P-C4' energy: -24.224
flat angles P-C4'-P energy: -14.300
tors. eta vs tors. theta energy: -21.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -281.478658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.478658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.478658 (E_RNA)
where:
Base-Base interactions energy: -176.107
where: short stacking energy: -81.174
Base-Backbone interact. energy: 0.670
local terms energy: -106.041452
where:
bonds (distance) C4'-P energy: -23.523
bonds (distance) P-C4' energy: -21.550
flat angles C4'-P-C4' energy: -25.036
flat angles P-C4'-P energy: -16.156
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: 5, replica: 10
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -281.170378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.170378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.170378 (E_RNA)
where:
Base-Base interactions energy: -177.615
where: short stacking energy: -84.643
Base-Backbone interact. energy: 2.026
local terms energy: -105.580987
where:
bonds (distance) C4'-P energy: -22.640
bonds (distance) P-C4' energy: -21.490
flat angles C4'-P-C4' energy: -22.567
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -29.338
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: 6, replica: 1
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -253.040551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.040551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.040551 (E_RNA)
where:
Base-Base interactions energy: -160.383
where: short stacking energy: -75.375
Base-Backbone interact. energy: -0.962
local terms energy: -91.695433
where:
bonds (distance) C4'-P energy: -21.092
bonds (distance) P-C4' energy: -18.577
flat angles C4'-P-C4' energy: -24.502
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: -18.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -250.519832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.519832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.519832 (E_RNA)
where:
Base-Base interactions energy: -153.474
where: short stacking energy: -78.345
Base-Backbone interact. energy: 0.532
local terms energy: -97.578305
where:
bonds (distance) C4'-P energy: -19.888
bonds (distance) P-C4' energy: -22.441
flat angles C4'-P-C4' energy: -21.514
flat angles P-C4'-P energy: -15.934
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: 8, replica: 2
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -251.445685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.445685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.445685 (E_RNA)
where:
Base-Base interactions energy: -155.568
where: short stacking energy: -70.924
Base-Backbone interact. energy: 0.778
local terms energy: -96.655038
where:
bonds (distance) C4'-P energy: -22.650
bonds (distance) P-C4' energy: -21.076
flat angles C4'-P-C4' energy: -18.895
flat angles P-C4'-P energy: -12.670
tors. eta vs tors. theta energy: -21.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -185.663604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.663604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.663604 (E_RNA)
where:
Base-Base interactions energy: -116.413
where: short stacking energy: -40.016
Base-Backbone interact. energy: -0.086
local terms energy: -69.163864
where:
bonds (distance) C4'-P energy: -16.542
bonds (distance) P-C4' energy: -20.448
flat angles C4'-P-C4' energy: -16.521
flat angles P-C4'-P energy: -12.665
tors. eta vs tors. theta energy: -2.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -200.462390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.462390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.462390 (E_RNA)
where:
Base-Base interactions energy: -119.363
where: short stacking energy: -62.893
Base-Backbone interact. energy: -0.349
local terms energy: -80.750256
where:
bonds (distance) C4'-P energy: -20.910
bonds (distance) P-C4' energy: -19.128
flat angles C4'-P-C4' energy: -18.713
flat angles P-C4'-P energy: -10.642
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: 1, replica: 5
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -369.179122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.179122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.179122 (E_RNA)
where:
Base-Base interactions energy: -251.812
where: short stacking energy: -115.321
Base-Backbone interact. energy: -0.569
local terms energy: -116.797604
where:
bonds (distance) C4'-P energy: -20.906
bonds (distance) P-C4' energy: -21.635
flat angles C4'-P-C4' energy: -25.749
flat angles P-C4'-P energy: -15.252
tors. eta vs tors. theta energy: -33.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -349.438609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.438609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.438609 (E_RNA)
where:
Base-Base interactions energy: -243.935
where: short stacking energy: -96.713
Base-Backbone interact. energy: -0.198
local terms energy: -105.305580
where:
bonds (distance) C4'-P energy: -21.448
bonds (distance) P-C4' energy: -19.929
flat angles C4'-P-C4' energy: -23.967
flat angles P-C4'-P energy: -15.800
tors. eta vs tors. theta energy: -24.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -309.593926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.593926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.593926 (E_RNA)
where:
Base-Base interactions energy: -205.293
where: short stacking energy: -94.293
Base-Backbone interact. energy: -0.272
local terms energy: -104.029172
where:
bonds (distance) C4'-P energy: -21.705
bonds (distance) P-C4' energy: -19.391
flat angles C4'-P-C4' energy: -20.983
flat angles P-C4'-P energy: -11.048
tors. eta vs tors. theta energy: -30.902
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: 8
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -300.353151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.353151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.353151 (E_RNA)
where:
Base-Base interactions energy: -201.951
where: short stacking energy: -93.956
Base-Backbone interact. energy: -0.107
local terms energy: -98.295915
where:
bonds (distance) C4'-P energy: -19.022
bonds (distance) P-C4' energy: -24.141
flat angles C4'-P-C4' energy: -21.742
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: -23.313
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: 10
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -263.609635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.609635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.609635 (E_RNA)
where:
Base-Base interactions energy: -165.163
where: short stacking energy: -75.209
Base-Backbone interact. energy: -0.037
local terms energy: -98.409619
where:
bonds (distance) C4'-P energy: -21.407
bonds (distance) P-C4' energy: -26.913
flat angles C4'-P-C4' energy: -19.785
flat angles P-C4'-P energy: -12.220
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: 6, replica: 1
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -250.092878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.092878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.092878 (E_RNA)
where:
Base-Base interactions energy: -158.221
where: short stacking energy: -71.267
Base-Backbone interact. energy: -0.083
local terms energy: -91.789322
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -26.544
flat angles C4'-P-C4' energy: -20.709
flat angles P-C4'-P energy: -12.833
tors. eta vs tors. theta energy: -17.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -246.973986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.973986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.973986 (E_RNA)
where:
Base-Base interactions energy: -165.321
where: short stacking energy: -62.886
Base-Backbone interact. energy: -0.285
local terms energy: -81.367425
where:
bonds (distance) C4'-P energy: -22.248
bonds (distance) P-C4' energy: -21.412
flat angles C4'-P-C4' energy: -16.315
flat angles P-C4'-P energy: -7.561
tors. eta vs tors. theta energy: -13.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -183.521097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.521097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.521097 (E_RNA)
where:
Base-Base interactions energy: -101.537
where: short stacking energy: -58.026
Base-Backbone interact. energy: -0.403
local terms energy: -81.581528
where:
bonds (distance) C4'-P energy: -18.667
bonds (distance) P-C4' energy: -20.220
flat angles C4'-P-C4' energy: -16.229
flat angles P-C4'-P energy: -12.409
tors. eta vs tors. theta energy: -14.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -239.088712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.088712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.088712 (E_RNA)
where:
Base-Base interactions energy: -145.158
where: short stacking energy: -65.121
Base-Backbone interact. energy: -0.195
local terms energy: -93.735110
where:
bonds (distance) C4'-P energy: -16.762
bonds (distance) P-C4' energy: -21.875
flat angles C4'-P-C4' energy: -21.114
flat angles P-C4'-P energy: -14.233
tors. eta vs tors. theta energy: -19.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -218.013387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.013387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.013387 (E_RNA)
where:
Base-Base interactions energy: -131.251
where: short stacking energy: -60.062
Base-Backbone interact. energy: -0.079
local terms energy: -86.683332
where:
bonds (distance) C4'-P energy: -21.302
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -17.306
flat angles P-C4'-P energy: -13.408
tors. eta vs tors. theta energy: -17.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -365.434197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.434197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.434197 (E_RNA)
where:
Base-Base interactions energy: -235.858
where: short stacking energy: -98.404
Base-Backbone interact. energy: -0.318
local terms energy: -129.258376
where:
bonds (distance) C4'-P energy: -25.605
bonds (distance) P-C4' energy: -24.560
flat angles C4'-P-C4' energy: -25.539
flat angles P-C4'-P energy: -17.388
tors. eta vs tors. theta energy: -36.165
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: 9
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -356.904441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.904441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.904441 (E_RNA)
where:
Base-Base interactions energy: -240.905
where: short stacking energy: -92.267
Base-Backbone interact. energy: -0.537
local terms energy: -115.461844
where:
bonds (distance) C4'-P energy: -19.466
bonds (distance) P-C4' energy: -26.544
flat angles C4'-P-C4' energy: -24.465
flat angles P-C4'-P energy: -19.161
tors. eta vs tors. theta energy: -25.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -313.575167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.575167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.575167 (E_RNA)
where:
Base-Base interactions energy: -196.307
where: short stacking energy: -101.692
Base-Backbone interact. energy: -0.471
local terms energy: -116.796659
where:
bonds (distance) C4'-P energy: -24.636
bonds (distance) P-C4' energy: -24.377
flat angles C4'-P-C4' energy: -24.535
flat angles P-C4'-P energy: -15.233
tors. eta vs tors. theta energy: -28.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -277.945849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.945849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.945849 (E_RNA)
where:
Base-Base interactions energy: -174.584
where: short stacking energy: -75.545
Base-Backbone interact. energy: -0.004
local terms energy: -103.357662
where:
bonds (distance) C4'-P energy: -22.785
bonds (distance) P-C4' energy: -26.805
flat angles C4'-P-C4' energy: -24.267
flat angles P-C4'-P energy: -11.728
tors. eta vs tors. theta energy: -17.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -277.893351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.893351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.893351 (E_RNA)
where:
Base-Base interactions energy: -183.509
where: short stacking energy: -86.522
Base-Backbone interact. energy: -0.229
local terms energy: -94.156113
where:
bonds (distance) C4'-P energy: -17.652
bonds (distance) P-C4' energy: -18.241
flat angles C4'-P-C4' energy: -20.199
flat angles P-C4'-P energy: -18.144
tors. eta vs tors. theta energy: -19.921
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: 10
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -272.315453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.315453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.315453 (E_RNA)
where:
Base-Base interactions energy: -171.296
where: short stacking energy: -77.116
Base-Backbone interact. energy: -0.184
local terms energy: -100.835011
where:
bonds (distance) C4'-P energy: -17.395
bonds (distance) P-C4' energy: -21.154
flat angles C4'-P-C4' energy: -23.692
flat angles P-C4'-P energy: -14.623
tors. eta vs tors. theta energy: -23.971
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: 62
Temperature: 1.200000
Total energy: -256.626425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.626425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.626425 (E_RNA)
where:
Base-Base interactions energy: -172.760
where: short stacking energy: -90.177
Base-Backbone interact. energy: -0.629
local terms energy: -83.237403
where:
bonds (distance) C4'-P energy: -16.022
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -20.043
flat angles P-C4'-P energy: -10.621
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: 8, replica: 6
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -169.196916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.196916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.196916 (E_RNA)
where:
Base-Base interactions energy: -101.086
where: short stacking energy: -55.922
Base-Backbone interact. energy: -0.378
local terms energy: -67.733177
where:
bonds (distance) C4'-P energy: -24.346
bonds (distance) P-C4' energy: -17.373
flat angles C4'-P-C4' energy: -12.588
flat angles P-C4'-P energy: -6.057
tors. eta vs tors. theta energy: -7.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -211.265266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.265266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.265266 (E_RNA)
where:
Base-Base interactions energy: -129.393
where: short stacking energy: -60.982
Base-Backbone interact. energy: -0.193
local terms energy: -81.679639
where:
bonds (distance) C4'-P energy: -21.990
bonds (distance) P-C4' energy: -12.508
flat angles C4'-P-C4' energy: -23.903
flat angles P-C4'-P energy: -16.359
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: 10, replica: 2
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -202.881023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.881023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.881023 (E_RNA)
where:
Base-Base interactions energy: -132.412
where: short stacking energy: -60.405
Base-Backbone interact. energy: 1.739
local terms energy: -72.208569
where:
bonds (distance) C4'-P energy: -12.642
bonds (distance) P-C4' energy: -20.664
flat angles C4'-P-C4' energy: -16.433
flat angles P-C4'-P energy: -9.146
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: 1, replica: 5
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -366.754419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.754419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.754419 (E_RNA)
where:
Base-Base interactions energy: -248.106
where: short stacking energy: -113.132
Base-Backbone interact. energy: -0.068
local terms energy: -118.580434
where:
bonds (distance) C4'-P energy: -19.750
bonds (distance) P-C4' energy: -21.569
flat angles C4'-P-C4' energy: -26.863
flat angles P-C4'-P energy: -16.674
tors. eta vs tors. theta energy: -33.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -340.356847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.356847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.356847 (E_RNA)
where:
Base-Base interactions energy: -230.933
where: short stacking energy: -88.074
Base-Backbone interact. energy: -1.106
local terms energy: -108.317417
where:
bonds (distance) C4'-P energy: -22.372
bonds (distance) P-C4' energy: -24.005
flat angles C4'-P-C4' energy: -26.030
flat angles P-C4'-P energy: -14.819
tors. eta vs tors. theta energy: -21.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -323.861206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.861206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.861206 (E_RNA)
where:
Base-Base interactions energy: -213.752
where: short stacking energy: -89.129
Base-Backbone interact. energy: -0.818
local terms energy: -109.291346
where:
bonds (distance) C4'-P energy: -24.308
bonds (distance) P-C4' energy: -24.005
flat angles C4'-P-C4' energy: -22.309
flat angles P-C4'-P energy: -11.788
tors. eta vs tors. theta energy: -26.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -281.594764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.594764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.594764 (E_RNA)
where:
Base-Base interactions energy: -172.401
where: short stacking energy: -82.870
Base-Backbone interact. energy: -0.103
local terms energy: -109.091234
where:
bonds (distance) C4'-P energy: -23.667
bonds (distance) P-C4' energy: -24.537
flat angles C4'-P-C4' energy: -26.056
flat angles P-C4'-P energy: -11.793
tors. eta vs tors. theta energy: -23.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -280.544470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.544470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.544470 (E_RNA)
where:
Base-Base interactions energy: -175.996
where: short stacking energy: -80.244
Base-Backbone interact. energy: -0.683
local terms energy: -103.865023
where:
bonds (distance) C4'-P energy: -19.870
bonds (distance) P-C4' energy: -22.144
flat angles C4'-P-C4' energy: -23.973
flat angles P-C4'-P energy: -17.834
tors. eta vs tors. theta energy: -20.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -254.327394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.327394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.327394 (E_RNA)
where:
Base-Base interactions energy: -169.100
where: short stacking energy: -80.936
Base-Backbone interact. energy: -0.346
local terms energy: -84.881184
where:
bonds (distance) C4'-P energy: -19.912
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -15.185
tors. eta vs tors. theta energy: -20.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -256.411850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.411850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.411850 (E_RNA)
where:
Base-Base interactions energy: -167.436
where: short stacking energy: -86.062
Base-Backbone interact. energy: -0.154
local terms energy: -88.821240
where:
bonds (distance) C4'-P energy: -19.519
bonds (distance) P-C4' energy: -17.648
flat angles C4'-P-C4' energy: -21.579
flat angles P-C4'-P energy: -11.243
tors. eta vs tors. theta energy: -18.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -206.224419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.224419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.224419 (E_RNA)
where:
Base-Base interactions energy: -131.128
where: short stacking energy: -68.435
Base-Backbone interact. energy: -0.013
local terms energy: -75.083248
where:
bonds (distance) C4'-P energy: -19.835
bonds (distance) P-C4' energy: -15.012
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -14.823
tors. eta vs tors. theta energy: -11.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -104.039403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.039403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.039403 (E_RNA)
where:
Base-Base interactions energy: -44.560
where: short stacking energy: -21.286
Base-Backbone interact. energy: -0.192
local terms energy: -59.287381
where:
bonds (distance) C4'-P energy: -19.046
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -11.116
tors. eta vs tors. theta energy: 1.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -173.415001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.415001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.415001 (E_RNA)
where:
Base-Base interactions energy: -104.012
where: short stacking energy: -54.815
Base-Backbone interact. energy: -0.435
local terms energy: -68.967304
where:
bonds (distance) C4'-P energy: -15.247
bonds (distance) P-C4' energy: -19.359
flat angles C4'-P-C4' energy: -20.292
flat angles P-C4'-P energy: -9.481
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: 1, replica: 9
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -351.937117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.937117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.937117 (E_RNA)
where:
Base-Base interactions energy: -250.828
where: short stacking energy: -100.596
Base-Backbone interact. energy: -0.119
local terms energy: -100.989921
where:
bonds (distance) C4'-P energy: -20.699
bonds (distance) P-C4' energy: -16.992
flat angles C4'-P-C4' energy: -22.747
flat angles P-C4'-P energy: -14.792
tors. eta vs tors. theta energy: -25.760
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: 5
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -366.415519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.415519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.415519 (E_RNA)
where:
Base-Base interactions energy: -242.976
where: short stacking energy: -95.867
Base-Backbone interact. energy: -0.441
local terms energy: -122.997559
where:
bonds (distance) C4'-P energy: -26.135
bonds (distance) P-C4' energy: -25.300
flat angles C4'-P-C4' energy: -24.647
flat angles P-C4'-P energy: -14.287
tors. eta vs tors. theta energy: -32.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -303.555714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.555714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.555714 (E_RNA)
where:
Base-Base interactions energy: -204.855
where: short stacking energy: -88.208
Base-Backbone interact. energy: -0.066
local terms energy: -98.634608
where:
bonds (distance) C4'-P energy: -21.249
bonds (distance) P-C4' energy: -22.757
flat angles C4'-P-C4' energy: -21.855
flat angles P-C4'-P energy: -11.417
tors. eta vs tors. theta energy: -21.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -300.040596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.040596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.040596 (E_RNA)
where:
Base-Base interactions energy: -192.467
where: short stacking energy: -93.101
Base-Backbone interact. energy: -0.178
local terms energy: -107.396147
where:
bonds (distance) C4'-P energy: -19.937
bonds (distance) P-C4' energy: -23.229
flat angles C4'-P-C4' energy: -21.597
flat angles P-C4'-P energy: -16.161
tors. eta vs tors. theta energy: -26.472
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: 5, replica: 1
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -260.110093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.110093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.110093 (E_RNA)
where:
Base-Base interactions energy: -164.236
where: short stacking energy: -71.743
Base-Backbone interact. energy: 0.342
local terms energy: -96.215791
where:
bonds (distance) C4'-P energy: -21.354
bonds (distance) P-C4' energy: -21.594
flat angles C4'-P-C4' energy: -20.244
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -23.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -271.812471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.812471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.812471 (E_RNA)
where:
Base-Base interactions energy: -173.321
where: short stacking energy: -83.375
Base-Backbone interact. energy: -0.929
local terms energy: -97.561585
where:
bonds (distance) C4'-P energy: -20.356
bonds (distance) P-C4' energy: -18.296
flat angles C4'-P-C4' energy: -22.993
flat angles P-C4'-P energy: -12.878
tors. eta vs tors. theta energy: -23.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -217.375166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.375166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.375166 (E_RNA)
where:
Base-Base interactions energy: -133.947
where: short stacking energy: -68.008
Base-Backbone interact. energy: -0.487
local terms energy: -82.941090
where:
bonds (distance) C4'-P energy: -22.901
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -19.673
flat angles P-C4'-P energy: -15.610
tors. eta vs tors. theta energy: -8.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -221.596685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.596685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.596685 (E_RNA)
where:
Base-Base interactions energy: -139.593
where: short stacking energy: -67.993
Base-Backbone interact. energy: 0.599
local terms energy: -82.602037
where:
bonds (distance) C4'-P energy: -21.762
bonds (distance) P-C4' energy: -11.468
flat angles C4'-P-C4' energy: -19.380
flat angles P-C4'-P energy: -14.066
tors. eta vs tors. theta energy: -15.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -189.492694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.492694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.492694 (E_RNA)
where:
Base-Base interactions energy: -113.285
where: short stacking energy: -57.147
Base-Backbone interact. energy: -1.074
local terms energy: -75.133982
where:
bonds (distance) C4'-P energy: -16.642
bonds (distance) P-C4' energy: -20.862
flat angles C4'-P-C4' energy: -18.166
flat angles P-C4'-P energy: -9.344
tors. eta vs tors. theta energy: -10.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -103.947840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.947840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.947840 (E_RNA)
where:
Base-Base interactions energy: -36.331
where: short stacking energy: -27.370
Base-Backbone interact. energy: -1.189
local terms energy: -66.427866
where:
bonds (distance) C4'-P energy: -24.597
bonds (distance) P-C4' energy: -17.963
flat angles C4'-P-C4' energy: -17.175
flat angles P-C4'-P energy: -8.782
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: 9
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -369.257222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.257222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.257222 (E_RNA)
where:
Base-Base interactions energy: -260.407
where: short stacking energy: -102.223
Base-Backbone interact. energy: -0.665
local terms energy: -108.184752
where:
bonds (distance) C4'-P energy: -24.359
bonds (distance) P-C4' energy: -22.425
flat angles C4'-P-C4' energy: -24.068
flat angles P-C4'-P energy: -10.888
tors. eta vs tors. theta energy: -26.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -367.416835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.416835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.416835 (E_RNA)
where:
Base-Base interactions energy: -249.324
where: short stacking energy: -102.620
Base-Backbone interact. energy: 0.792
local terms energy: -118.884199
where:
bonds (distance) C4'-P energy: -20.430
bonds (distance) P-C4' energy: -23.574
flat angles C4'-P-C4' energy: -26.398
flat angles P-C4'-P energy: -15.539
tors. eta vs tors. theta energy: -32.943
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: 4
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -313.800470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.800470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.800470 (E_RNA)
where:
Base-Base interactions energy: -217.788
where: short stacking energy: -84.874
Base-Backbone interact. energy: -0.658
local terms energy: -95.354735
where:
bonds (distance) C4'-P energy: -18.438
bonds (distance) P-C4' energy: -22.266
flat angles C4'-P-C4' energy: -17.553
flat angles P-C4'-P energy: -16.789
tors. eta vs tors. theta energy: -20.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -287.337840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.337840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.337840 (E_RNA)
where:
Base-Base interactions energy: -174.667
where: short stacking energy: -86.369
Base-Backbone interact. energy: -0.216
local terms energy: -112.454558
where:
bonds (distance) C4'-P energy: -23.960
bonds (distance) P-C4' energy: -24.955
flat angles C4'-P-C4' energy: -18.510
flat angles P-C4'-P energy: -16.650
tors. eta vs tors. theta energy: -28.379
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: 8
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -265.473454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.473454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.473454 (E_RNA)
where:
Base-Base interactions energy: -168.710
where: short stacking energy: -81.882
Base-Backbone interact. energy: -0.264
local terms energy: -96.499156
where:
bonds (distance) C4'-P energy: -23.917
bonds (distance) P-C4' energy: -21.912
flat angles C4'-P-C4' energy: -24.002
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: -15.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -284.461410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.461410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.461410 (E_RNA)
where:
Base-Base interactions energy: -181.897
where: short stacking energy: -86.321
Base-Backbone interact. energy: -0.053
local terms energy: -102.511171
where:
bonds (distance) C4'-P energy: -25.050
bonds (distance) P-C4' energy: -21.457
flat angles C4'-P-C4' energy: -22.024
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -23.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -217.460312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.460312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.460312 (E_RNA)
where:
Base-Base interactions energy: -128.829
where: short stacking energy: -56.801
Base-Backbone interact. energy: -0.678
local terms energy: -87.952706
where:
bonds (distance) C4'-P energy: -17.915
bonds (distance) P-C4' energy: -26.915
flat angles C4'-P-C4' energy: -17.906
flat angles P-C4'-P energy: -14.803
tors. eta vs tors. theta energy: -10.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -248.699372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.699372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.699372 (E_RNA)
where:
Base-Base interactions energy: -168.409
where: short stacking energy: -69.401
Base-Backbone interact. energy: 0.827
local terms energy: -81.117052
where:
bonds (distance) C4'-P energy: -10.038
bonds (distance) P-C4' energy: -20.496
flat angles C4'-P-C4' energy: -21.946
flat angles P-C4'-P energy: -14.572
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: 9, replica: 2
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -217.220899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.220899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.220899 (E_RNA)
where:
Base-Base interactions energy: -135.742
where: short stacking energy: -59.746
Base-Backbone interact. energy: -0.268
local terms energy: -81.210235
where:
bonds (distance) C4'-P energy: -21.150
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -13.440
flat angles P-C4'-P energy: -15.808
tors. eta vs tors. theta energy: -13.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -120.264732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.264732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.264732 (E_RNA)
where:
Base-Base interactions energy: -32.611
where: short stacking energy: -24.737
Base-Backbone interact. energy: -0.093
local terms energy: -87.560439
where:
bonds (distance) C4'-P energy: -21.564
bonds (distance) P-C4' energy: -25.225
flat angles C4'-P-C4' energy: -19.642
flat angles P-C4'-P energy: -9.475
tors. eta vs tors. theta energy: -11.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -369.775824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.775824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.775824 (E_RNA)
where:
Base-Base interactions energy: -249.199
where: short stacking energy: -101.441
Base-Backbone interact. energy: -1.515
local terms energy: -119.061420
where:
bonds (distance) C4'-P energy: -21.638
bonds (distance) P-C4' energy: -22.655
flat angles C4'-P-C4' energy: -27.310
flat angles P-C4'-P energy: -14.933
tors. eta vs tors. theta energy: -32.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -318.090574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.090574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.090574 (E_RNA)
where:
Base-Base interactions energy: -215.306
where: short stacking energy: -100.391
Base-Backbone interact. energy: 1.368
local terms energy: -104.152188
where:
bonds (distance) C4'-P energy: -21.405
bonds (distance) P-C4' energy: -25.040
flat angles C4'-P-C4' energy: -23.561
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -24.368
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: 4
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -305.338128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.338128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.338128 (E_RNA)
where:
Base-Base interactions energy: -201.013
where: short stacking energy: -98.325
Base-Backbone interact. energy: -0.105
local terms energy: -104.220505
where:
bonds (distance) C4'-P energy: -23.821
bonds (distance) P-C4' energy: -25.308
flat angles C4'-P-C4' energy: -15.100
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: -29.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -284.380729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.380729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.380729 (E_RNA)
where:
Base-Base interactions energy: -175.409
where: short stacking energy: -74.321
Base-Backbone interact. energy: -0.818
local terms energy: -108.153962
where:
bonds (distance) C4'-P energy: -23.385
bonds (distance) P-C4' energy: -23.562
flat angles C4'-P-C4' energy: -21.653
flat angles P-C4'-P energy: -16.882
tors. eta vs tors. theta energy: -22.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -281.474014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.474014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.474014 (E_RNA)
where:
Base-Base interactions energy: -178.435
where: short stacking energy: -88.321
Base-Backbone interact. energy: -0.107
local terms energy: -102.932505
where:
bonds (distance) C4'-P energy: -23.501
bonds (distance) P-C4' energy: -20.888
flat angles C4'-P-C4' energy: -23.208
flat angles P-C4'-P energy: -12.053
tors. eta vs tors. theta energy: -23.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -263.976048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.976048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.976048 (E_RNA)
where:
Base-Base interactions energy: -158.457
where: short stacking energy: -76.370
Base-Backbone interact. energy: -0.317
local terms energy: -105.202627
where:
bonds (distance) C4'-P energy: -25.100
bonds (distance) P-C4' energy: -24.572
flat angles C4'-P-C4' energy: -23.364
flat angles P-C4'-P energy: -14.587
tors. eta vs tors. theta energy: -17.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -268.211296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.211296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.211296 (E_RNA)
where:
Base-Base interactions energy: -177.939
where: short stacking energy: -82.769
Base-Backbone interact. energy: -0.690
local terms energy: -89.582675
where:
bonds (distance) C4'-P energy: -12.928
bonds (distance) P-C4' energy: -19.633
flat angles C4'-P-C4' energy: -22.743
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: -24.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -247.233945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.233945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.233945 (E_RNA)
where:
Base-Base interactions energy: -157.841
where: short stacking energy: -66.022
Base-Backbone interact. energy: -0.748
local terms energy: -88.645154
where:
bonds (distance) C4'-P energy: -21.166
bonds (distance) P-C4' energy: -20.124
flat angles C4'-P-C4' energy: -20.412
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: -17.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -208.561820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.561820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.561820 (E_RNA)
where:
Base-Base interactions energy: -135.210
where: short stacking energy: -62.977
Base-Backbone interact. energy: -0.097
local terms energy: -73.255068
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: -15.403
flat angles C4'-P-C4' energy: -13.036
flat angles P-C4'-P energy: -10.484
tors. eta vs tors. theta energy: -17.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -119.897045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.897045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.897045 (E_RNA)
where:
Base-Base interactions energy: -56.422
where: short stacking energy: -40.419
Base-Backbone interact. energy: 0.740
local terms energy: -64.215125
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -19.683
flat angles C4'-P-C4' energy: -11.739
flat angles P-C4'-P energy: -14.553
tors. eta vs tors. theta energy: -3.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -375.514491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.514491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.514491 (E_RNA)
where:
Base-Base interactions energy: -248.886
where: short stacking energy: -105.012
Base-Backbone interact. energy: -0.079
local terms energy: -126.549814
where:
bonds (distance) C4'-P energy: -26.616
bonds (distance) P-C4' energy: -21.908
flat angles C4'-P-C4' energy: -27.270
flat angles P-C4'-P energy: -18.709
tors. eta vs tors. theta energy: -32.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -314.061143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.061143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.061143 (E_RNA)
where:
Base-Base interactions energy: -209.123
where: short stacking energy: -100.158
Base-Backbone interact. energy: -0.161
local terms energy: -104.777279
where:
bonds (distance) C4'-P energy: -19.891
bonds (distance) P-C4' energy: -24.956
flat angles C4'-P-C4' energy: -23.555
flat angles P-C4'-P energy: -12.223
tors. eta vs tors. theta energy: -24.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -310.005772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.005772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.005772 (E_RNA)
where:
Base-Base interactions energy: -205.236
where: short stacking energy: -86.435
Base-Backbone interact. energy: -1.358
local terms energy: -103.411876
where:
bonds (distance) C4'-P energy: -25.293
bonds (distance) P-C4' energy: -22.796
flat angles C4'-P-C4' energy: -20.501
flat angles P-C4'-P energy: -15.594
tors. eta vs tors. theta energy: -19.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -282.503796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.503796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.503796 (E_RNA)
where:
Base-Base interactions energy: -182.699
where: short stacking energy: -83.465
Base-Backbone interact. energy: -0.021
local terms energy: -99.783512
where:
bonds (distance) C4'-P energy: -14.556
bonds (distance) P-C4' energy: -24.557
flat angles C4'-P-C4' energy: -25.301
flat angles P-C4'-P energy: -15.548
tors. eta vs tors. theta energy: -19.822
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: 1
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -266.328843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.328843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.328843 (E_RNA)
where:
Base-Base interactions energy: -160.317
where: short stacking energy: -83.747
Base-Backbone interact. energy: -0.083
local terms energy: -105.928916
where:
bonds (distance) C4'-P energy: -28.084
bonds (distance) P-C4' energy: -20.075
flat angles C4'-P-C4' energy: -21.190
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: -26.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -254.029141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.029141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.029141 (E_RNA)
where:
Base-Base interactions energy: -159.830
where: short stacking energy: -68.780
Base-Backbone interact. energy: -0.428
local terms energy: -93.771638
where:
bonds (distance) C4'-P energy: -23.459
bonds (distance) P-C4' energy: -17.884
flat angles C4'-P-C4' energy: -22.016
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -19.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -259.750858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.750858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.750858 (E_RNA)
where:
Base-Base interactions energy: -178.694
where: short stacking energy: -76.094
Base-Backbone interact. energy: 0.121
local terms energy: -81.177844
where:
bonds (distance) C4'-P energy: -14.793
bonds (distance) P-C4' energy: -21.505
flat angles C4'-P-C4' energy: -20.825
flat angles P-C4'-P energy: -7.574
tors. eta vs tors. theta energy: -16.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -217.706311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.706311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.706311 (E_RNA)
where:
Base-Base interactions energy: -138.314
where: short stacking energy: -65.731
Base-Backbone interact. energy: -0.340
local terms energy: -79.052867
where:
bonds (distance) C4'-P energy: -18.304
bonds (distance) P-C4' energy: -25.960
flat angles C4'-P-C4' energy: -18.173
flat angles P-C4'-P energy: -7.543
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: 9, replica: 10
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -256.284187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.284187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.284187 (E_RNA)
where:
Base-Base interactions energy: -157.123
where: short stacking energy: -69.011
Base-Backbone interact. energy: -0.651
local terms energy: -98.510183
where:
bonds (distance) C4'-P energy: -17.624
bonds (distance) P-C4' energy: -21.983
flat angles C4'-P-C4' energy: -23.073
flat angles P-C4'-P energy: -17.587
tors. eta vs tors. theta energy: -18.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -108.241162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.241162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.241162 (E_RNA)
where:
Base-Base interactions energy: -50.744
where: short stacking energy: -36.795
Base-Backbone interact. energy: -0.293
local terms energy: -57.204648
where:
bonds (distance) C4'-P energy: -15.897
bonds (distance) P-C4' energy: -12.551
flat angles C4'-P-C4' energy: -18.143
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: 0.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -371.206324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.206324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.206324 (E_RNA)
where:
Base-Base interactions energy: -250.147
where: short stacking energy: -105.772
Base-Backbone interact. energy: -0.014
local terms energy: -121.045579
where:
bonds (distance) C4'-P energy: -23.563
bonds (distance) P-C4' energy: -21.646
flat angles C4'-P-C4' energy: -22.252
flat angles P-C4'-P energy: -21.326
tors. eta vs tors. theta energy: -32.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -316.783461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.783461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.783461 (E_RNA)
where:
Base-Base interactions energy: -206.847
where: short stacking energy: -93.954
Base-Backbone interact. energy: -0.532
local terms energy: -109.404587
where:
bonds (distance) C4'-P energy: -23.299
bonds (distance) P-C4' energy: -21.710
flat angles C4'-P-C4' energy: -21.051
flat angles P-C4'-P energy: -15.467
tors. eta vs tors. theta energy: -27.878
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: 68
Temperature: 1.000000
Total energy: -305.198506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.198506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.198506 (E_RNA)
where:
Base-Base interactions energy: -195.961
where: short stacking energy: -95.552
Base-Backbone interact. energy: 0.963
local terms energy: -110.199935
where:
bonds (distance) C4'-P energy: -16.361
bonds (distance) P-C4' energy: -21.934
flat angles C4'-P-C4' energy: -25.792
flat angles P-C4'-P energy: -17.681
tors. eta vs tors. theta energy: -28.432
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: 3
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -287.236522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.236522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.236522 (E_RNA)
where:
Base-Base interactions energy: -183.593
where: short stacking energy: -88.212
Base-Backbone interact. energy: -0.838
local terms energy: -102.805712
where:
bonds (distance) C4'-P energy: -21.061
bonds (distance) P-C4' energy: -21.044
flat angles C4'-P-C4' energy: -19.631
flat angles P-C4'-P energy: -14.787
tors. eta vs tors. theta energy: -26.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -269.293123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.293123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.293123 (E_RNA)
where:
Base-Base interactions energy: -177.889
where: short stacking energy: -81.487
Base-Backbone interact. energy: -1.638
local terms energy: -89.766331
where:
bonds (distance) C4'-P energy: -21.937
bonds (distance) P-C4' energy: -17.158
flat angles C4'-P-C4' energy: -20.139
flat angles P-C4'-P energy: -15.523
tors. eta vs tors. theta energy: -15.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -260.882665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.882665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.882665 (E_RNA)
where:
Base-Base interactions energy: -173.523
where: short stacking energy: -76.497
Base-Backbone interact. energy: -0.251
local terms energy: -87.108982
where:
bonds (distance) C4'-P energy: -19.125
bonds (distance) P-C4' energy: -20.373
flat angles C4'-P-C4' energy: -20.038
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -16.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -255.319324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.319324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.319324 (E_RNA)
where:
Base-Base interactions energy: -162.814
where: short stacking energy: -72.674
Base-Backbone interact. energy: 0.157
local terms energy: -92.662045
where:
bonds (distance) C4'-P energy: -18.815
bonds (distance) P-C4' energy: -22.207
flat angles C4'-P-C4' energy: -17.609
flat angles P-C4'-P energy: -16.153
tors. eta vs tors. theta energy: -17.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -238.115812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.115812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.115812 (E_RNA)
where:
Base-Base interactions energy: -159.046
where: short stacking energy: -68.647
Base-Backbone interact. energy: -0.075
local terms energy: -78.994713
where:
bonds (distance) C4'-P energy: -22.582
bonds (distance) P-C4' energy: -14.928
flat angles C4'-P-C4' energy: -17.856
flat angles P-C4'-P energy: -9.088
tors. eta vs tors. theta energy: -14.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -221.419746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.419746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.419746 (E_RNA)
where:
Base-Base interactions energy: -134.554
where: short stacking energy: -59.527
Base-Backbone interact. energy: -0.120
local terms energy: -86.745484
where:
bonds (distance) C4'-P energy: -19.460
bonds (distance) P-C4' energy: -17.110
flat angles C4'-P-C4' energy: -27.382
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -12.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -152.167856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.167856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.167856 (E_RNA)
where:
Base-Base interactions energy: -91.342
where: short stacking energy: -49.666
Base-Backbone interact. energy: 1.671
local terms energy: -62.496864
where:
bonds (distance) C4'-P energy: -10.358
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -21.628
flat angles P-C4'-P energy: -9.906
tors. eta vs tors. theta energy: -4.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -370.691720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.691720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.691720 (E_RNA)
where:
Base-Base interactions energy: -250.148
where: short stacking energy: -95.731
Base-Backbone interact. energy: -0.028
local terms energy: -120.515961
where:
bonds (distance) C4'-P energy: -25.894
bonds (distance) P-C4' energy: -20.152
flat angles C4'-P-C4' energy: -24.259
flat angles P-C4'-P energy: -19.344
tors. eta vs tors. theta energy: -30.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -304.932169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.932169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.932169 (E_RNA)
where:
Base-Base interactions energy: -188.099
where: short stacking energy: -99.880
Base-Backbone interact. energy: -0.123
local terms energy: -116.710301
where:
bonds (distance) C4'-P energy: -19.775
bonds (distance) P-C4' energy: -24.227
flat angles C4'-P-C4' energy: -23.886
flat angles P-C4'-P energy: -15.682
tors. eta vs tors. theta energy: -33.140
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: 3, replica: 4
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -322.970021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.970021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.970021 (E_RNA)
where:
Base-Base interactions energy: -216.493
where: short stacking energy: -102.739
Base-Backbone interact. energy: -0.169
local terms energy: -106.308019
where:
bonds (distance) C4'-P energy: -20.810
bonds (distance) P-C4' energy: -19.216
flat angles C4'-P-C4' energy: -20.897
flat angles P-C4'-P energy: -15.286
tors. eta vs tors. theta energy: -30.100
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: 69
Temperature: 1.050000
Total energy: -274.083312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.083312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.083312 (E_RNA)
where:
Base-Base interactions energy: -175.954
where: short stacking energy: -72.852
Base-Backbone interact. energy: 2.518
local terms energy: -100.647002
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -24.174
flat angles C4'-P-C4' energy: -26.058
flat angles P-C4'-P energy: -17.084
tors. eta vs tors. theta energy: -17.406
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: 5, replica: 3
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -275.727192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.727192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.727192 (E_RNA)
where:
Base-Base interactions energy: -181.774
where: short stacking energy: -85.808
Base-Backbone interact. energy: -0.217
local terms energy: -93.736800
where:
bonds (distance) C4'-P energy: -19.883
bonds (distance) P-C4' energy: -24.718
flat angles C4'-P-C4' energy: -20.321
flat angles P-C4'-P energy: -6.096
tors. eta vs tors. theta energy: -22.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -279.238519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.238519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.238519 (E_RNA)
where:
Base-Base interactions energy: -176.974
where: short stacking energy: -93.801
Base-Backbone interact. energy: -0.619
local terms energy: -101.644668
where:
bonds (distance) C4'-P energy: -23.038
bonds (distance) P-C4' energy: -14.696
flat angles C4'-P-C4' energy: -23.661
flat angles P-C4'-P energy: -19.273
tors. eta vs tors. theta energy: -20.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -256.677955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.677955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.677955 (E_RNA)
where:
Base-Base interactions energy: -181.331
where: short stacking energy: -74.647
Base-Backbone interact. energy: -0.192
local terms energy: -75.154888
where:
bonds (distance) C4'-P energy: -21.830
bonds (distance) P-C4' energy: -20.941
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -5.583
tors. eta vs tors. theta energy: -13.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -243.754293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.754293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.754293 (E_RNA)
where:
Base-Base interactions energy: -154.812
where: short stacking energy: -77.036
Base-Backbone interact. energy: -1.263
local terms energy: -87.679793
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -23.548
flat angles C4'-P-C4' energy: -20.762
flat angles P-C4'-P energy: -10.435
tors. eta vs tors. theta energy: -19.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -235.448138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.448138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.448138 (E_RNA)
where:
Base-Base interactions energy: -162.144
where: short stacking energy: -66.608
Base-Backbone interact. energy: -0.099
local terms energy: -73.204942
where:
bonds (distance) C4'-P energy: -18.549
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -20.565
flat angles P-C4'-P energy: -8.886
tors. eta vs tors. theta energy: -12.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -164.677940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.677940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.677940 (E_RNA)
where:
Base-Base interactions energy: -88.363
where: short stacking energy: -49.076
Base-Backbone interact. energy: 0.248
local terms energy: -76.563801
where:
bonds (distance) C4'-P energy: -16.116
bonds (distance) P-C4' energy: -26.409
flat angles C4'-P-C4' energy: -21.813
flat angles P-C4'-P energy: -8.675
tors. eta vs tors. theta energy: -3.551
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: 5
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -357.483268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.483268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.483268 (E_RNA)
where:
Base-Base interactions energy: -248.122
where: short stacking energy: -101.475
Base-Backbone interact. energy: -0.128
local terms energy: -109.233079
where:
bonds (distance) C4'-P energy: -16.319
bonds (distance) P-C4' energy: -23.016
flat angles C4'-P-C4' energy: -26.778
flat angles P-C4'-P energy: -14.726
tors. eta vs tors. theta energy: -28.395
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: 9
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -313.317034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.317034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.317034 (E_RNA)
where:
Base-Base interactions energy: -189.863
where: short stacking energy: -96.833
Base-Backbone interact. energy: 0.190
local terms energy: -123.643820
where:
bonds (distance) C4'-P energy: -26.494
bonds (distance) P-C4' energy: -25.170
flat angles C4'-P-C4' energy: -25.744
flat angles P-C4'-P energy: -16.712
tors. eta vs tors. theta energy: -29.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -293.078015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.078015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.078015 (E_RNA)
where:
Base-Base interactions energy: -191.749
where: short stacking energy: -82.346
Base-Backbone interact. energy: -0.129
local terms energy: -101.199674
where:
bonds (distance) C4'-P energy: -25.709
bonds (distance) P-C4' energy: -21.672
flat angles C4'-P-C4' energy: -20.352
flat angles P-C4'-P energy: -11.126
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: 4, replica: 4
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -275.726099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.726099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.726099 (E_RNA)
where:
Base-Base interactions energy: -174.930
where: short stacking energy: -90.819
Base-Backbone interact. energy: 0.817
local terms energy: -101.613136
where:
bonds (distance) C4'-P energy: -18.981
bonds (distance) P-C4' energy: -22.532
flat angles C4'-P-C4' energy: -22.995
flat angles P-C4'-P energy: -13.034
tors. eta vs tors. theta energy: -24.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -282.751431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.751431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.751431 (E_RNA)
where:
Base-Base interactions energy: -179.878
where: short stacking energy: -83.002
Base-Backbone interact. energy: -0.258
local terms energy: -102.614644
where:
bonds (distance) C4'-P energy: -24.740
bonds (distance) P-C4' energy: -17.540
flat angles C4'-P-C4' energy: -26.744
flat angles P-C4'-P energy: -8.198
tors. eta vs tors. theta energy: -25.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -266.215740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.215740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.215740 (E_RNA)
where:
Base-Base interactions energy: -172.153
where: short stacking energy: -84.129
Base-Backbone interact. energy: -0.077
local terms energy: -93.985405
where:
bonds (distance) C4'-P energy: -20.334
bonds (distance) P-C4' energy: -22.781
flat angles C4'-P-C4' energy: -14.869
flat angles P-C4'-P energy: -12.095
tors. eta vs tors. theta energy: -23.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -267.214052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.214052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.214052 (E_RNA)
where:
Base-Base interactions energy: -173.729
where: short stacking energy: -76.089
Base-Backbone interact. energy: -0.123
local terms energy: -93.361280
where:
bonds (distance) C4'-P energy: -16.000
bonds (distance) P-C4' energy: -19.245
flat angles C4'-P-C4' energy: -20.472
flat angles P-C4'-P energy: -13.501
tors. eta vs tors. theta energy: -24.144
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: 2
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -255.394527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.394527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.394527 (E_RNA)
where:
Base-Base interactions energy: -175.283
where: short stacking energy: -80.305
Base-Backbone interact. energy: 1.469
local terms energy: -81.581015
where:
bonds (distance) C4'-P energy: -20.687
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -20.484
flat angles P-C4'-P energy: -6.872
tors. eta vs tors. theta energy: -16.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -199.278463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.278463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.278463 (E_RNA)
where:
Base-Base interactions energy: -117.903
where: short stacking energy: -48.146
Base-Backbone interact. energy: -0.579
local terms energy: -80.796443
where:
bonds (distance) C4'-P energy: -18.165
bonds (distance) P-C4' energy: -22.988
flat angles C4'-P-C4' energy: -20.305
flat angles P-C4'-P energy: -11.561
tors. eta vs tors. theta energy: -7.777
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: 10, replica: 6
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -160.054190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.054190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.054190 (E_RNA)
where:
Base-Base interactions energy: -88.512
where: short stacking energy: -50.869
Base-Backbone interact. energy: -0.124
local terms energy: -71.418121
where:
bonds (distance) C4'-P energy: -16.089
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -20.352
flat angles P-C4'-P energy: -13.944
tors. eta vs tors. theta energy: -5.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -363.231742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.231742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.231742 (E_RNA)
where:
Base-Base interactions energy: -246.271
where: short stacking energy: -107.965
Base-Backbone interact. energy: -0.079
local terms energy: -116.882381
where:
bonds (distance) C4'-P energy: -23.216
bonds (distance) P-C4' energy: -24.192
flat angles C4'-P-C4' energy: -23.396
flat angles P-C4'-P energy: -16.949
tors. eta vs tors. theta energy: -29.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -309.377666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.377666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.377666 (E_RNA)
where:
Base-Base interactions energy: -199.540
where: short stacking energy: -102.453
Base-Backbone interact. energy: 1.374
local terms energy: -111.211438
where:
bonds (distance) C4'-P energy: -22.396
bonds (distance) P-C4' energy: -23.777
flat angles C4'-P-C4' energy: -20.366
flat angles P-C4'-P energy: -18.418
tors. eta vs tors. theta energy: -26.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -287.912593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.912593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.912593 (E_RNA)
where:
Base-Base interactions energy: -179.183
where: short stacking energy: -84.248
Base-Backbone interact. energy: -0.595
local terms energy: -108.135032
where:
bonds (distance) C4'-P energy: -26.499
bonds (distance) P-C4' energy: -22.929
flat angles C4'-P-C4' energy: -22.860
flat angles P-C4'-P energy: -16.246
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: 4, replica: 8
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -310.741641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.741641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.741641 (E_RNA)
where:
Base-Base interactions energy: -202.180
where: short stacking energy: -89.293
Base-Backbone interact. energy: -0.125
local terms energy: -108.435794
where:
bonds (distance) C4'-P energy: -20.248
bonds (distance) P-C4' energy: -25.258
flat angles C4'-P-C4' energy: -26.072
flat angles P-C4'-P energy: -15.901
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: 4
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -290.460904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.460904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.460904 (E_RNA)
where:
Base-Base interactions energy: -181.423
where: short stacking energy: -78.035
Base-Backbone interact. energy: -0.214
local terms energy: -108.824416
where:
bonds (distance) C4'-P energy: -19.764
bonds (distance) P-C4' energy: -20.985
flat angles C4'-P-C4' energy: -23.635
flat angles P-C4'-P energy: -18.549
tors. eta vs tors. theta energy: -25.891
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: 1
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -257.012411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.012411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.012411 (E_RNA)
where:
Base-Base interactions energy: -154.075
where: short stacking energy: -76.282
Base-Backbone interact. energy: 0.560
local terms energy: -103.497427
where:
bonds (distance) C4'-P energy: -23.246
bonds (distance) P-C4' energy: -13.829
flat angles C4'-P-C4' energy: -22.160
flat angles P-C4'-P energy: -20.549
tors. eta vs tors. theta energy: -23.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -236.261653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.261653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.261653 (E_RNA)
where:
Base-Base interactions energy: -148.845
where: short stacking energy: -67.378
Base-Backbone interact. energy: -0.731
local terms energy: -86.686411
where:
bonds (distance) C4'-P energy: -13.935
bonds (distance) P-C4' energy: -19.250
flat angles C4'-P-C4' energy: -23.939
flat angles P-C4'-P energy: -17.556
tors. eta vs tors. theta energy: -12.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -262.787066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.787066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.787066 (E_RNA)
where:
Base-Base interactions energy: -168.966
where: short stacking energy: -69.765
Base-Backbone interact. energy: -0.181
local terms energy: -93.640312
where:
bonds (distance) C4'-P energy: -18.582
bonds (distance) P-C4' energy: -21.757
flat angles C4'-P-C4' energy: -22.564
flat angles P-C4'-P energy: -13.495
tors. eta vs tors. theta energy: -17.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -215.495224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.495224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.495224 (E_RNA)
where:
Base-Base interactions energy: -138.109
where: short stacking energy: -61.596
Base-Backbone interact. energy: -0.026
local terms energy: -77.359735
where:
bonds (distance) C4'-P energy: -19.416
bonds (distance) P-C4' energy: -19.045
flat angles C4'-P-C4' energy: -12.832
flat angles P-C4'-P energy: -10.921
tors. eta vs tors. theta energy: -15.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -189.494288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.494288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.494288 (E_RNA)
where:
Base-Base interactions energy: -115.099
where: short stacking energy: -59.574
Base-Backbone interact. energy: -0.463
local terms energy: -73.932609
where:
bonds (distance) C4'-P energy: -14.133
bonds (distance) P-C4' energy: -15.908
flat angles C4'-P-C4' energy: -20.728
flat angles P-C4'-P energy: -15.280
tors. eta vs tors. theta energy: -7.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -370.661325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.661325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.661325 (E_RNA)
where:
Base-Base interactions energy: -250.272
where: short stacking energy: -110.614
Base-Backbone interact. energy: -0.327
local terms energy: -120.062026
where:
bonds (distance) C4'-P energy: -22.375
bonds (distance) P-C4' energy: -23.928
flat angles C4'-P-C4' energy: -23.907
flat angles P-C4'-P energy: -15.957
tors. eta vs tors. theta energy: -33.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -298.458308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.458308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.458308 (E_RNA)
where:
Base-Base interactions energy: -182.702
where: short stacking energy: -95.240
Base-Backbone interact. energy: 0.481
local terms energy: -116.237252
where:
bonds (distance) C4'-P energy: -25.597
bonds (distance) P-C4' energy: -22.405
flat angles C4'-P-C4' energy: -27.764
flat angles P-C4'-P energy: -19.200
tors. eta vs tors. theta energy: -21.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -304.667472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.667472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.667472 (E_RNA)
where:
Base-Base interactions energy: -205.775
where: short stacking energy: -74.883
Base-Backbone interact. energy: -0.178
local terms energy: -98.714368
where:
bonds (distance) C4'-P energy: -22.838
bonds (distance) P-C4' energy: -21.400
flat angles C4'-P-C4' energy: -25.013
flat angles P-C4'-P energy: -13.200
tors. eta vs tors. theta energy: -16.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -287.196422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.196422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.196422 (E_RNA)
where:
Base-Base interactions energy: -187.541
where: short stacking energy: -91.183
Base-Backbone interact. energy: -0.121
local terms energy: -99.533776
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -23.229
flat angles C4'-P-C4' energy: -20.707
flat angles P-C4'-P energy: -15.482
tors. eta vs tors. theta energy: -24.067
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: 4
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -279.779504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.779504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.779504 (E_RNA)
where:
Base-Base interactions energy: -182.202
where: short stacking energy: -95.846
Base-Backbone interact. energy: 0.831
local terms energy: -98.408980
where:
bonds (distance) C4'-P energy: -19.788
bonds (distance) P-C4' energy: -23.657
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -18.083
tors. eta vs tors. theta energy: -20.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -259.520641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.520641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.520641 (E_RNA)
where:
Base-Base interactions energy: -161.942
where: short stacking energy: -77.433
Base-Backbone interact. energy: -0.152
local terms energy: -97.426679
where:
bonds (distance) C4'-P energy: -18.385
bonds (distance) P-C4' energy: -21.831
flat angles C4'-P-C4' energy: -22.240
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: -25.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -270.129419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.129419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.129419 (E_RNA)
where:
Base-Base interactions energy: -171.183
where: short stacking energy: -66.371
Base-Backbone interact. energy: -0.100
local terms energy: -98.845591
where:
bonds (distance) C4'-P energy: -23.521
bonds (distance) P-C4' energy: -21.819
flat angles C4'-P-C4' energy: -20.180
flat angles P-C4'-P energy: -15.532
tors. eta vs tors. theta energy: -17.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -233.158502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.158502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.158502 (E_RNA)
where:
Base-Base interactions energy: -144.110
where: short stacking energy: -66.918
Base-Backbone interact. energy: -0.082
local terms energy: -88.966144
where:
bonds (distance) C4'-P energy: -20.848
bonds (distance) P-C4' energy: -19.374
flat angles C4'-P-C4' energy: -19.744
flat angles P-C4'-P energy: -17.058
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: 9, replica: 6
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -199.753337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.753337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.753337 (E_RNA)
where:
Base-Base interactions energy: -120.521
where: short stacking energy: -59.821
Base-Backbone interact. energy: -0.455
local terms energy: -78.777977
where:
bonds (distance) C4'-P energy: -19.950
bonds (distance) P-C4' energy: -19.872
flat angles C4'-P-C4' energy: -15.112
flat angles P-C4'-P energy: -13.874
tors. eta vs tors. theta energy: -9.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -191.599440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.599440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.599440 (E_RNA)
where:
Base-Base interactions energy: -111.249
where: short stacking energy: -55.900
Base-Backbone interact. energy: -2.000
local terms energy: -78.349836
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -18.274
flat angles C4'-P-C4' energy: -20.409
flat angles P-C4'-P energy: -12.096
tors. eta vs tors. theta energy: -11.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -366.831589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.831589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.831589 (E_RNA)
where:
Base-Base interactions energy: -249.683
where: short stacking energy: -102.749
Base-Backbone interact. energy: 0.591
local terms energy: -117.740021
where:
bonds (distance) C4'-P energy: -25.233
bonds (distance) P-C4' energy: -21.147
flat angles C4'-P-C4' energy: -23.693
flat angles P-C4'-P energy: -16.495
tors. eta vs tors. theta energy: -31.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -303.702435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.702435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.702435 (E_RNA)
where:
Base-Base interactions energy: -197.189
where: short stacking energy: -82.473
Base-Backbone interact. energy: 0.137
local terms energy: -106.651061
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -26.866
flat angles C4'-P-C4' energy: -25.702
flat angles P-C4'-P energy: -17.794
tors. eta vs tors. theta energy: -19.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -283.919999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.919999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.919999 (E_RNA)
where:
Base-Base interactions energy: -177.912
where: short stacking energy: -89.793
Base-Backbone interact. energy: -0.050
local terms energy: -105.958394
where:
bonds (distance) C4'-P energy: -21.639
bonds (distance) P-C4' energy: -22.767
flat angles C4'-P-C4' energy: -25.493
flat angles P-C4'-P energy: -14.687
tors. eta vs tors. theta energy: -21.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -291.406447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.406447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.406447 (E_RNA)
where:
Base-Base interactions energy: -189.461
where: short stacking energy: -91.191
Base-Backbone interact. energy: -0.034
local terms energy: -101.911639
where:
bonds (distance) C4'-P energy: -22.387
bonds (distance) P-C4' energy: -18.845
flat angles C4'-P-C4' energy: -24.264
flat angles P-C4'-P energy: -13.601
tors. eta vs tors. theta energy: -22.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -267.563432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.563432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.563432 (E_RNA)
where:
Base-Base interactions energy: -177.608
where: short stacking energy: -82.587
Base-Backbone interact. energy: -0.038
local terms energy: -89.916974
where:
bonds (distance) C4'-P energy: -20.901
bonds (distance) P-C4' energy: -19.568
flat angles C4'-P-C4' energy: -17.833
flat angles P-C4'-P energy: -11.449
tors. eta vs tors. theta energy: -20.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -264.071409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.071409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.071409 (E_RNA)
where:
Base-Base interactions energy: -161.167
where: short stacking energy: -73.717
Base-Backbone interact. energy: -0.049
local terms energy: -102.855830
where:
bonds (distance) C4'-P energy: -22.577
bonds (distance) P-C4' energy: -20.500
flat angles C4'-P-C4' energy: -21.626
flat angles P-C4'-P energy: -18.042
tors. eta vs tors. theta energy: -20.110
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: 7, replica: 1
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -254.767554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.767554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.767554 (E_RNA)
where:
Base-Base interactions energy: -163.416
where: short stacking energy: -78.502
Base-Backbone interact. energy: -0.424
local terms energy: -90.927460
where:
bonds (distance) C4'-P energy: -18.554
bonds (distance) P-C4' energy: -25.443
flat angles C4'-P-C4' energy: -18.337
flat angles P-C4'-P energy: -11.234
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: 8, replica: 3
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -243.933263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.933263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.933263 (E_RNA)
where:
Base-Base interactions energy: -155.273
where: short stacking energy: -62.504
Base-Backbone interact. energy: 2.545
local terms energy: -91.205145
where:
bonds (distance) C4'-P energy: -18.603
bonds (distance) P-C4' energy: -26.287
flat angles C4'-P-C4' energy: -19.263
flat angles P-C4'-P energy: -15.434
tors. eta vs tors. theta energy: -11.618
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: 6
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -215.033134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.033134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.033134 (E_RNA)
where:
Base-Base interactions energy: -119.096
where: short stacking energy: -63.455
Base-Backbone interact. energy: -0.243
local terms energy: -95.694122
where:
bonds (distance) C4'-P energy: -22.914
bonds (distance) P-C4' energy: -20.043
flat angles C4'-P-C4' energy: -23.361
flat angles P-C4'-P energy: -10.680
tors. eta vs tors. theta energy: -18.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -195.133675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.133675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.133675 (E_RNA)
where:
Base-Base interactions energy: -126.068
where: short stacking energy: -49.734
Base-Backbone interact. energy: -0.307
local terms energy: -68.758091
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -19.196
flat angles C4'-P-C4' energy: -18.540
flat angles P-C4'-P energy: -12.896
tors. eta vs tors. theta energy: -5.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -376.081626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.081626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.081626 (E_RNA)
where:
Base-Base interactions energy: -253.832
where: short stacking energy: -110.993
Base-Backbone interact. energy: -0.112
local terms energy: -122.138051
where:
bonds (distance) C4'-P energy: -21.026
bonds (distance) P-C4' energy: -24.017
flat angles C4'-P-C4' energy: -27.142
flat angles P-C4'-P energy: -15.528
tors. eta vs tors. theta energy: -34.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -304.216662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.216662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.216662 (E_RNA)
where:
Base-Base interactions energy: -197.095
where: short stacking energy: -86.296
Base-Backbone interact. energy: -0.690
local terms energy: -106.431335
where:
bonds (distance) C4'-P energy: -20.222
bonds (distance) P-C4' energy: -25.572
flat angles C4'-P-C4' energy: -25.213
flat angles P-C4'-P energy: -14.211
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: 7
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -285.270447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.270447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.270447 (E_RNA)
where:
Base-Base interactions energy: -170.872
where: short stacking energy: -84.706
Base-Backbone interact. energy: -0.755
local terms energy: -113.643008
where:
bonds (distance) C4'-P energy: -24.135
bonds (distance) P-C4' energy: -19.227
flat angles C4'-P-C4' energy: -27.119
flat angles P-C4'-P energy: -18.402
tors. eta vs tors. theta energy: -24.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -296.258585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.258585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.258585 (E_RNA)
where:
Base-Base interactions energy: -201.573
where: short stacking energy: -81.941
Base-Backbone interact. energy: -1.136
local terms energy: -93.550072
where:
bonds (distance) C4'-P energy: -22.691
bonds (distance) P-C4' energy: -19.720
flat angles C4'-P-C4' energy: -25.376
flat angles P-C4'-P energy: -11.691
tors. eta vs tors. theta energy: -14.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -274.095454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.095454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.095454 (E_RNA)
where:
Base-Base interactions energy: -163.147
where: short stacking energy: -83.455
Base-Backbone interact. energy: 0.182
local terms energy: -111.129805
where:
bonds (distance) C4'-P energy: -22.151
bonds (distance) P-C4' energy: -21.821
flat angles C4'-P-C4' energy: -23.532
flat angles P-C4'-P energy: -19.979
tors. eta vs tors. theta energy: -23.647
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: 9
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -298.029034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.029034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.029034 (E_RNA)
where:
Base-Base interactions energy: -200.474
where: short stacking energy: -78.518
Base-Backbone interact. energy: 0.936
local terms energy: -98.491137
where:
bonds (distance) C4'-P energy: -24.486
bonds (distance) P-C4' energy: -16.215
flat angles C4'-P-C4' energy: -21.119
flat angles P-C4'-P energy: -14.753
tors. eta vs tors. theta energy: -21.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -257.761200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.761200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.761200 (E_RNA)
where:
Base-Base interactions energy: -163.408
where: short stacking energy: -71.545
Base-Backbone interact. energy: -0.038
local terms energy: -94.314721
where:
bonds (distance) C4'-P energy: -21.022
bonds (distance) P-C4' energy: -22.813
flat angles C4'-P-C4' energy: -20.817
flat angles P-C4'-P energy: -14.742
tors. eta vs tors. theta energy: -14.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -263.210138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.210138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.210138 (E_RNA)
where:
Base-Base interactions energy: -171.334
where: short stacking energy: -81.428
Base-Backbone interact. energy: -0.124
local terms energy: -91.751808
where:
bonds (distance) C4'-P energy: -22.322
bonds (distance) P-C4' energy: -18.377
flat angles C4'-P-C4' energy: -21.070
flat angles P-C4'-P energy: -8.133
tors. eta vs tors. theta energy: -21.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -215.346144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.346144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.346144 (E_RNA)
where:
Base-Base interactions energy: -134.516
where: short stacking energy: -64.437
Base-Backbone interact. energy: -0.215
local terms energy: -80.614545
where:
bonds (distance) C4'-P energy: -16.639
bonds (distance) P-C4' energy: -24.535
flat angles C4'-P-C4' energy: -23.682
flat angles P-C4'-P energy: -0.895
tors. eta vs tors. theta energy: -14.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -192.371853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.371853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.371853 (E_RNA)
where:
Base-Base interactions energy: -102.601
where: short stacking energy: -52.072
Base-Backbone interact. energy: -0.173
local terms energy: -89.597375
where:
bonds (distance) C4'-P energy: -16.877
bonds (distance) P-C4' energy: -24.761
flat angles C4'-P-C4' energy: -22.137
flat angles P-C4'-P energy: -17.691
tors. eta vs tors. theta energy: -8.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -370.095600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.095600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.095600 (E_RNA)
where:
Base-Base interactions energy: -252.950
where: short stacking energy: -105.402
Base-Backbone interact. energy: -0.129
local terms energy: -117.016531
where:
bonds (distance) C4'-P energy: -24.077
bonds (distance) P-C4' energy: -21.979
flat angles C4'-P-C4' energy: -22.265
flat angles P-C4'-P energy: -14.111
tors. eta vs tors. theta energy: -34.584
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: 7
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -293.612646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.612646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.612646 (E_RNA)
where:
Base-Base interactions energy: -189.078
where: short stacking energy: -93.243
Base-Backbone interact. energy: -0.128
local terms energy: -104.406868
where:
bonds (distance) C4'-P energy: -22.339
bonds (distance) P-C4' energy: -21.245
flat angles C4'-P-C4' energy: -21.601
flat angles P-C4'-P energy: -16.613
tors. eta vs tors. theta energy: -22.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -293.334730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.334730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.334730 (E_RNA)
where:
Base-Base interactions energy: -178.013
where: short stacking energy: -93.651
Base-Backbone interact. energy: -0.283
local terms energy: -115.038700
where:
bonds (distance) C4'-P energy: -24.127
bonds (distance) P-C4' energy: -23.364
flat angles C4'-P-C4' energy: -21.153
flat angles P-C4'-P energy: -19.769
tors. eta vs tors. theta energy: -26.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -277.557129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.557129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.557129 (E_RNA)
where:
Base-Base interactions energy: -176.458
where: short stacking energy: -83.703
Base-Backbone interact. energy: -0.110
local terms energy: -100.989149
where:
bonds (distance) C4'-P energy: -23.335
bonds (distance) P-C4' energy: -21.749
flat angles C4'-P-C4' energy: -20.935
flat angles P-C4'-P energy: -14.699
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: 5, replica: 4
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -268.643010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.643010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.643010 (E_RNA)
where:
Base-Base interactions energy: -162.651
where: short stacking energy: -74.545
Base-Backbone interact. energy: 1.166
local terms energy: -107.158141
where:
bonds (distance) C4'-P energy: -19.834
bonds (distance) P-C4' energy: -22.673
flat angles C4'-P-C4' energy: -21.722
flat angles P-C4'-P energy: -19.895
tors. eta vs tors. theta energy: -23.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -261.763930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.763930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.763930 (E_RNA)
where:
Base-Base interactions energy: -164.216
where: short stacking energy: -76.954
Base-Backbone interact. energy: -0.251
local terms energy: -97.296775
where:
bonds (distance) C4'-P energy: -23.328
bonds (distance) P-C4' energy: -23.899
flat angles C4'-P-C4' energy: -21.815
flat angles P-C4'-P energy: -12.294
tors. eta vs tors. theta energy: -15.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -258.492299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.492299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.492299 (E_RNA)
where:
Base-Base interactions energy: -163.850
where: short stacking energy: -74.658
Base-Backbone interact. energy: -0.373
local terms energy: -94.269070
where:
bonds (distance) C4'-P energy: -18.328
bonds (distance) P-C4' energy: -19.939
flat angles C4'-P-C4' energy: -22.156
flat angles P-C4'-P energy: -14.621
tors. eta vs tors. theta energy: -19.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -254.723289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.723289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.723289 (E_RNA)
where:
Base-Base interactions energy: -166.898
where: short stacking energy: -81.883
Base-Backbone interact. energy: 0.559
local terms energy: -88.384535
where:
bonds (distance) C4'-P energy: -20.105
bonds (distance) P-C4' energy: -18.592
flat angles C4'-P-C4' energy: -17.976
flat angles P-C4'-P energy: -13.671
tors. eta vs tors. theta energy: -18.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -225.254370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.254370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.254370 (E_RNA)
where:
Base-Base interactions energy: -143.614
where: short stacking energy: -60.603
Base-Backbone interact. energy: -0.209
local terms energy: -81.431376
where:
bonds (distance) C4'-P energy: -23.161
bonds (distance) P-C4' energy: -20.985
flat angles C4'-P-C4' energy: -13.930
flat angles P-C4'-P energy: -8.185
tors. eta vs tors. theta energy: -15.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -183.917251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.917251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.917251 (E_RNA)
where:
Base-Base interactions energy: -113.146
where: short stacking energy: -56.417
Base-Backbone interact. energy: -0.225
local terms energy: -70.546427
where:
bonds (distance) C4'-P energy: -21.226
bonds (distance) P-C4' energy: -18.784
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -6.943
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: 1, replica: 5
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -365.868262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.868262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.868262 (E_RNA)
where:
Base-Base interactions energy: -251.252
where: short stacking energy: -114.030
Base-Backbone interact. energy: -0.009
local terms energy: -114.606727
where:
bonds (distance) C4'-P energy: -21.850
bonds (distance) P-C4' energy: -21.380
flat angles C4'-P-C4' energy: -23.715
flat angles P-C4'-P energy: -16.195
tors. eta vs tors. theta energy: -31.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -311.767162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.767162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.767162 (E_RNA)
where:
Base-Base interactions energy: -197.702
where: short stacking energy: -102.416
Base-Backbone interact. energy: -0.038
local terms energy: -114.026889
where:
bonds (distance) C4'-P energy: -23.265
bonds (distance) P-C4' energy: -22.599
flat angles C4'-P-C4' energy: -20.247
flat angles P-C4'-P energy: -20.866
tors. eta vs tors. theta energy: -27.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -299.949035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.949035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.949035 (E_RNA)
where:
Base-Base interactions energy: -196.627
where: short stacking energy: -87.173
Base-Backbone interact. energy: -0.799
local terms energy: -102.522665
where:
bonds (distance) C4'-P energy: -21.175
bonds (distance) P-C4' energy: -23.032
flat angles C4'-P-C4' energy: -22.098
flat angles P-C4'-P energy: -14.553
tors. eta vs tors. theta energy: -21.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -274.194022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.194022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.194022 (E_RNA)
where:
Base-Base interactions energy: -178.781
where: short stacking energy: -67.580
Base-Backbone interact. energy: -0.276
local terms energy: -95.137102
where:
bonds (distance) C4'-P energy: -17.772
bonds (distance) P-C4' energy: -22.376
flat angles C4'-P-C4' energy: -20.085
flat angles P-C4'-P energy: -18.657
tors. eta vs tors. theta energy: -16.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -282.757542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.757542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.757542 (E_RNA)
where:
Base-Base interactions energy: -177.971
where: short stacking energy: -91.521
Base-Backbone interact. energy: 0.731
local terms energy: -105.517051
where:
bonds (distance) C4'-P energy: -25.328
bonds (distance) P-C4' energy: -23.053
flat angles C4'-P-C4' energy: -23.165
flat angles P-C4'-P energy: -11.696
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: 6, replica: 3
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -267.337909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.337909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.337909 (E_RNA)
where:
Base-Base interactions energy: -175.441
where: short stacking energy: -87.225
Base-Backbone interact. energy: -0.386
local terms energy: -91.511070
where:
bonds (distance) C4'-P energy: -20.942
bonds (distance) P-C4' energy: -17.472
flat angles C4'-P-C4' energy: -16.650
flat angles P-C4'-P energy: -16.046
tors. eta vs tors. theta energy: -20.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -260.618281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.618281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.618281 (E_RNA)
where:
Base-Base interactions energy: -166.812
where: short stacking energy: -80.201
Base-Backbone interact. energy: -0.171
local terms energy: -93.634673
where:
bonds (distance) C4'-P energy: -17.117
bonds (distance) P-C4' energy: -21.037
flat angles C4'-P-C4' energy: -23.801
flat angles P-C4'-P energy: -13.450
tors. eta vs tors. theta energy: -18.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -249.098727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.098727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.098727 (E_RNA)
where:
Base-Base interactions energy: -148.511
where: short stacking energy: -69.406
Base-Backbone interact. energy: -0.212
local terms energy: -100.376209
where:
bonds (distance) C4'-P energy: -25.124
bonds (distance) P-C4' energy: -19.712
flat angles C4'-P-C4' energy: -20.909
flat angles P-C4'-P energy: -17.725
tors. eta vs tors. theta energy: -16.907
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: 10
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -206.855429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.855429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.855429 (E_RNA)
where:
Base-Base interactions energy: -126.846
where: short stacking energy: -65.692
Base-Backbone interact. energy: -0.321
local terms energy: -79.689010
where:
bonds (distance) C4'-P energy: -23.162
bonds (distance) P-C4' energy: -19.002
flat angles C4'-P-C4' energy: -19.690
flat angles P-C4'-P energy: -6.590
tors. eta vs tors. theta energy: -11.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -187.169165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.169165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.169165 (E_RNA)
where:
Base-Base interactions energy: -106.618
where: short stacking energy: -46.869
Base-Backbone interact. energy: -0.116
local terms energy: -80.435473
where:
bonds (distance) C4'-P energy: -23.068
bonds (distance) P-C4' energy: -19.229
flat angles C4'-P-C4' energy: -21.407
flat angles P-C4'-P energy: -13.174
tors. eta vs tors. theta energy: -3.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -379.281612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.281612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.281612 (E_RNA)
where:
Base-Base interactions energy: -258.609
where: short stacking energy: -116.463
Base-Backbone interact. energy: -0.384
local terms energy: -120.288322
where:
bonds (distance) C4'-P energy: -24.118
bonds (distance) P-C4' energy: -22.418
flat angles C4'-P-C4' energy: -19.830
flat angles P-C4'-P energy: -18.580
tors. eta vs tors. theta energy: -35.342
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: 7
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -314.644475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.644475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.644475 (E_RNA)
where:
Base-Base interactions energy: -193.461
where: short stacking energy: -101.714
Base-Backbone interact. energy: -0.601
local terms energy: -120.582815
where:
bonds (distance) C4'-P energy: -22.114
bonds (distance) P-C4' energy: -25.480
flat angles C4'-P-C4' energy: -23.107
flat angles P-C4'-P energy: -18.737
tors. eta vs tors. theta energy: -31.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -303.263595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.263595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.263595 (E_RNA)
where:
Base-Base interactions energy: -199.445
where: short stacking energy: -95.427
Base-Backbone interact. energy: -0.141
local terms energy: -103.677914
where:
bonds (distance) C4'-P energy: -27.479
bonds (distance) P-C4' energy: -20.671
flat angles C4'-P-C4' energy: -21.850
flat angles P-C4'-P energy: -10.098
tors. eta vs tors. theta energy: -23.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -279.674677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.674677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.674677 (E_RNA)
where:
Base-Base interactions energy: -174.123
where: short stacking energy: -85.150
Base-Backbone interact. energy: -0.261
local terms energy: -105.290690
where:
bonds (distance) C4'-P energy: -24.264
bonds (distance) P-C4' energy: -21.869
flat angles C4'-P-C4' energy: -23.986
flat angles P-C4'-P energy: -12.066
tors. eta vs tors. theta energy: -23.105
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: 2
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -274.440299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.440299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.440299 (E_RNA)
where:
Base-Base interactions energy: -173.795
where: short stacking energy: -80.350
Base-Backbone interact. energy: -0.198
local terms energy: -100.447603
where:
bonds (distance) C4'-P energy: -18.817
bonds (distance) P-C4' energy: -26.311
flat angles C4'-P-C4' energy: -21.448
flat angles P-C4'-P energy: -13.245
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: 6, replica: 9
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -236.077423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.077423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.077423 (E_RNA)
where:
Base-Base interactions energy: -144.589
where: short stacking energy: -77.442
Base-Backbone interact. energy: -0.223
local terms energy: -91.265807
where:
bonds (distance) C4'-P energy: -20.739
bonds (distance) P-C4' energy: -27.756
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -16.156
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: 77
Temperature: 1.200000
Total energy: -242.135748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.135748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.135748 (E_RNA)
where:
Base-Base interactions energy: -152.656
where: short stacking energy: -76.916
Base-Backbone interact. energy: -0.407
local terms energy: -89.072879
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -23.017
flat angles C4'-P-C4' energy: -19.211
flat angles P-C4'-P energy: -14.341
tors. eta vs tors. theta energy: -15.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -218.843662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.843662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.843662 (E_RNA)
where:
Base-Base interactions energy: -125.355
where: short stacking energy: -60.064
Base-Backbone interact. energy: 2.797
local terms energy: -96.286350
where:
bonds (distance) C4'-P energy: -21.730
bonds (distance) P-C4' energy: -22.260
flat angles C4'-P-C4' energy: -21.835
flat angles P-C4'-P energy: -12.625
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: 9, replica: 1
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -238.053478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.053478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.053478 (E_RNA)
where:
Base-Base interactions energy: -149.692
where: short stacking energy: -65.112
Base-Backbone interact. energy: -0.229
local terms energy: -88.133057
where:
bonds (distance) C4'-P energy: -17.060
bonds (distance) P-C4' energy: -24.330
flat angles C4'-P-C4' energy: -19.173
flat angles P-C4'-P energy: -8.244
tors. eta vs tors. theta energy: -19.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -184.485353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.485353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.485353 (E_RNA)
where:
Base-Base interactions energy: -107.911
where: short stacking energy: -59.535
Base-Backbone interact. energy: -0.019
local terms energy: -76.555186
where:
bonds (distance) C4'-P energy: -17.892
bonds (distance) P-C4' energy: -21.387
flat angles C4'-P-C4' energy: -16.682
flat angles P-C4'-P energy: -11.617
tors. eta vs tors. theta energy: -8.977
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: 5
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -370.426340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.426340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.426340 (E_RNA)
where:
Base-Base interactions energy: -247.786
where: short stacking energy: -101.844
Base-Backbone interact. energy: -0.035
local terms energy: -122.605554
where:
bonds (distance) C4'-P energy: -21.974
bonds (distance) P-C4' energy: -26.837
flat angles C4'-P-C4' energy: -23.780
flat angles P-C4'-P energy: -17.335
tors. eta vs tors. theta energy: -32.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -314.157304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.157304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.157304 (E_RNA)
where:
Base-Base interactions energy: -205.065
where: short stacking energy: -104.636
Base-Backbone interact. energy: 0.136
local terms energy: -109.228207
where:
bonds (distance) C4'-P energy: -18.485
bonds (distance) P-C4' energy: -25.287
flat angles C4'-P-C4' energy: -22.235
flat angles P-C4'-P energy: -16.397
tors. eta vs tors. theta energy: -26.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -309.601376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.601376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.601376 (E_RNA)
where:
Base-Base interactions energy: -196.195
where: short stacking energy: -74.209
Base-Backbone interact. energy: -1.557
local terms energy: -111.848643
where:
bonds (distance) C4'-P energy: -25.587
bonds (distance) P-C4' energy: -21.135
flat angles C4'-P-C4' energy: -24.486
flat angles P-C4'-P energy: -19.032
tors. eta vs tors. theta energy: -21.609
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: 4, replica: 4
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -294.040599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.040599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.040599 (E_RNA)
where:
Base-Base interactions energy: -199.757
where: short stacking energy: -93.996
Base-Backbone interact. energy: -0.078
local terms energy: -94.206008
where:
bonds (distance) C4'-P energy: -22.123
bonds (distance) P-C4' energy: -17.763
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -11.203
tors. eta vs tors. theta energy: -26.923
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: 78
Temperature: 1.100000
Total energy: -294.697320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.697320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.697320 (E_RNA)
where:
Base-Base interactions energy: -189.427
where: short stacking energy: -80.976
Base-Backbone interact. energy: -0.025
local terms energy: -105.245653
where:
bonds (distance) C4'-P energy: -21.172
bonds (distance) P-C4' energy: -23.562
flat angles C4'-P-C4' energy: -17.228
flat angles P-C4'-P energy: -18.615
tors. eta vs tors. theta energy: -24.669
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: 2
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -264.616032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.616032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.616032 (E_RNA)
where:
Base-Base interactions energy: -170.837
where: short stacking energy: -81.383
Base-Backbone interact. energy: -0.034
local terms energy: -93.744957
where:
bonds (distance) C4'-P energy: -18.132
bonds (distance) P-C4' energy: -15.056
flat angles C4'-P-C4' energy: -23.327
flat angles P-C4'-P energy: -18.981
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: 7, replica: 10
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -235.707619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.707619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.707619 (E_RNA)
where:
Base-Base interactions energy: -152.893
where: short stacking energy: -62.430
Base-Backbone interact. energy: -0.526
local terms energy: -82.288757
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -17.110
flat angles C4'-P-C4' energy: -18.221
flat angles P-C4'-P energy: -14.965
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: 8, replica: 3
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -235.957208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.957208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.957208 (E_RNA)
where:
Base-Base interactions energy: -156.052
where: short stacking energy: -59.031
Base-Backbone interact. energy: -0.365
local terms energy: -79.540019
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -21.908
flat angles C4'-P-C4' energy: -20.970
flat angles P-C4'-P energy: -15.851
tors. eta vs tors. theta energy: -7.421
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: 78
Temperature: 1.300000
Total energy: -245.203541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.203541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.203541 (E_RNA)
where:
Base-Base interactions energy: -161.221
where: short stacking energy: -70.702
Base-Backbone interact. energy: -0.267
local terms energy: -83.716070
where:
bonds (distance) C4'-P energy: -17.387
bonds (distance) P-C4' energy: -18.878
flat angles C4'-P-C4' energy: -12.960
flat angles P-C4'-P energy: -15.234
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: 10, replica: 6
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -181.741650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.741650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.741650 (E_RNA)
where:
Base-Base interactions energy: -113.921
where: short stacking energy: -52.388
Base-Backbone interact. energy: -1.264
local terms energy: -66.557005
where:
bonds (distance) C4'-P energy: -18.579
bonds (distance) P-C4' energy: -12.795
flat angles C4'-P-C4' energy: -9.330
flat angles P-C4'-P energy: -15.774
tors. eta vs tors. theta energy: -10.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -370.363415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.363415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.363415 (E_RNA)
where:
Base-Base interactions energy: -249.219
where: short stacking energy: -108.938
Base-Backbone interact. energy: -0.129
local terms energy: -121.014612
where:
bonds (distance) C4'-P energy: -22.671
bonds (distance) P-C4' energy: -22.952
flat angles C4'-P-C4' energy: -23.992
flat angles P-C4'-P energy: -16.616
tors. eta vs tors. theta energy: -34.783
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: 8
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -302.812559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.812559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.812559 (E_RNA)
where:
Base-Base interactions energy: -198.445
where: short stacking energy: -102.334
Base-Backbone interact. energy: -0.422
local terms energy: -103.945120
where:
bonds (distance) C4'-P energy: -22.429
bonds (distance) P-C4' energy: -24.537
flat angles C4'-P-C4' energy: -20.726
flat angles P-C4'-P energy: -11.095
tors. eta vs tors. theta energy: -25.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -294.778214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.778214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.778214 (E_RNA)
where:
Base-Base interactions energy: -185.530
where: short stacking energy: -97.205
Base-Backbone interact. energy: 1.475
local terms energy: -110.722575
where:
bonds (distance) C4'-P energy: -17.013
bonds (distance) P-C4' energy: -24.028
flat angles C4'-P-C4' energy: -23.655
flat angles P-C4'-P energy: -17.217
tors. eta vs tors. theta energy: -28.809
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: 9
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -309.441062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.441062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.441062 (E_RNA)
where:
Base-Base interactions energy: -211.271
where: short stacking energy: -104.784
Base-Backbone interact. energy: 0.485
local terms energy: -98.655212
where:
bonds (distance) C4'-P energy: -21.869
bonds (distance) P-C4' energy: -23.608
flat angles C4'-P-C4' energy: -20.082
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -23.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -268.739486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.739486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.739486 (E_RNA)
where:
Base-Base interactions energy: -174.716
where: short stacking energy: -73.119
Base-Backbone interact. energy: -0.318
local terms energy: -93.705816
where:
bonds (distance) C4'-P energy: -17.718
bonds (distance) P-C4' energy: -20.767
flat angles C4'-P-C4' energy: -23.174
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -21.794
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: 6, replica: 2
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -277.814433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.814433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.814433 (E_RNA)
where:
Base-Base interactions energy: -173.023
where: short stacking energy: -68.406
Base-Backbone interact. energy: -1.037
local terms energy: -103.753840
where:
bonds (distance) C4'-P energy: -24.351
bonds (distance) P-C4' energy: -21.901
flat angles C4'-P-C4' energy: -26.102
flat angles P-C4'-P energy: -17.467
tors. eta vs tors. theta energy: -13.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -264.578119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.578119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.578119 (E_RNA)
where:
Base-Base interactions energy: -164.791
where: short stacking energy: -69.918
Base-Backbone interact. energy: -0.620
local terms energy: -99.166763
where:
bonds (distance) C4'-P energy: -22.819
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -25.053
flat angles P-C4'-P energy: -12.211
tors. eta vs tors. theta energy: -20.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -257.621693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.621693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.621693 (E_RNA)
where:
Base-Base interactions energy: -164.756
where: short stacking energy: -84.443
Base-Backbone interact. energy: -0.233
local terms energy: -92.632456
where:
bonds (distance) C4'-P energy: -18.510
bonds (distance) P-C4' energy: -19.907
flat angles C4'-P-C4' energy: -21.599
flat angles P-C4'-P energy: -14.615
tors. eta vs tors. theta energy: -18.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -250.137582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.137582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.137582 (E_RNA)
where:
Base-Base interactions energy: -168.694
where: short stacking energy: -66.850
Base-Backbone interact. energy: -0.187
local terms energy: -81.256716
where:
bonds (distance) C4'-P energy: -15.366
bonds (distance) P-C4' energy: -17.614
flat angles C4'-P-C4' energy: -15.580
flat angles P-C4'-P energy: -15.858
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: 10, replica: 6
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -193.530334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.530334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.530334 (E_RNA)
where:
Base-Base interactions energy: -119.309
where: short stacking energy: -56.628
Base-Backbone interact. energy: -0.521
local terms energy: -73.700522
where:
bonds (distance) C4'-P energy: -17.975
bonds (distance) P-C4' energy: -17.809
flat angles C4'-P-C4' energy: -8.718
flat angles P-C4'-P energy: -12.409
tors. eta vs tors. theta energy: -16.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -372.946819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.946819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.946819 (E_RNA)
where:
Base-Base interactions energy: -250.411
where: short stacking energy: -107.192
Base-Backbone interact. energy: -0.018
local terms energy: -122.518784
where:
bonds (distance) C4'-P energy: -24.804
bonds (distance) P-C4' energy: -23.865
flat angles C4'-P-C4' energy: -26.987
flat angles P-C4'-P energy: -17.420
tors. eta vs tors. theta energy: -29.442
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: 80
Temperature: 0.950000
Total energy: -307.484840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.484840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.484840 (E_RNA)
where:
Base-Base interactions energy: -202.229
where: short stacking energy: -86.536
Base-Backbone interact. energy: -0.352
local terms energy: -104.903535
where:
bonds (distance) C4'-P energy: -20.098
bonds (distance) P-C4' energy: -23.399
flat angles C4'-P-C4' energy: -18.286
flat angles P-C4'-P energy: -18.228
tors. eta vs tors. theta energy: -24.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -312.166877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.166877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.166877 (E_RNA)
where:
Base-Base interactions energy: -205.884
where: short stacking energy: -98.161
Base-Backbone interact. energy: -0.530
local terms energy: -105.752041
where:
bonds (distance) C4'-P energy: -22.185
bonds (distance) P-C4' energy: -22.102
flat angles C4'-P-C4' energy: -24.482
flat angles P-C4'-P energy: -10.542
tors. eta vs tors. theta energy: -26.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -300.321026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.321026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.321026 (E_RNA)
where:
Base-Base interactions energy: -191.906
where: short stacking energy: -80.130
Base-Backbone interact. energy: -0.214
local terms energy: -108.201670
where:
bonds (distance) C4'-P energy: -26.308
bonds (distance) P-C4' energy: -18.449
flat angles C4'-P-C4' energy: -21.145
flat angles P-C4'-P energy: -15.740
tors. eta vs tors. theta energy: -26.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -291.465575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.465575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.465575 (E_RNA)
where:
Base-Base interactions energy: -188.323
where: short stacking energy: -80.949
Base-Backbone interact. energy: -0.970
local terms energy: -102.172737
where:
bonds (distance) C4'-P energy: -19.733
bonds (distance) P-C4' energy: -23.374
flat angles C4'-P-C4' energy: -17.080
flat angles P-C4'-P energy: -18.800
tors. eta vs tors. theta energy: -23.186
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: 6, replica: 4
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -273.082575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.082575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.082575 (E_RNA)
where:
Base-Base interactions energy: -174.745
where: short stacking energy: -84.556
Base-Backbone interact. energy: 0.224
local terms energy: -98.561684
where:
bonds (distance) C4'-P energy: -21.761
bonds (distance) P-C4' energy: -23.457
flat angles C4'-P-C4' energy: -22.618
flat angles P-C4'-P energy: -10.869
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: 7, replica: 10
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -244.941145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.941145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.941145 (E_RNA)
where:
Base-Base interactions energy: -148.611
where: short stacking energy: -67.375
Base-Backbone interact. energy: -0.142
local terms energy: -96.187968
where:
bonds (distance) C4'-P energy: -23.013
bonds (distance) P-C4' energy: -20.446
flat angles C4'-P-C4' energy: -17.911
flat angles P-C4'-P energy: -17.436
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: 8, replica: 1
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -261.564467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.564467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.564467 (E_RNA)
where:
Base-Base interactions energy: -168.844
where: short stacking energy: -87.271
Base-Backbone interact. energy: -0.167
local terms energy: -92.553450
where:
bonds (distance) C4'-P energy: -19.468
bonds (distance) P-C4' energy: -12.970
flat angles C4'-P-C4' energy: -20.855
flat angles P-C4'-P energy: -17.088
tors. eta vs tors. theta energy: -22.171
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: 3
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -245.455897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.455897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.455897 (E_RNA)
where:
Base-Base interactions energy: -160.557
where: short stacking energy: -62.087
Base-Backbone interact. energy: -0.570
local terms energy: -84.328621
where:
bonds (distance) C4'-P energy: -24.721
bonds (distance) P-C4' energy: -24.592
flat angles C4'-P-C4' energy: -13.203
flat angles P-C4'-P energy: -8.850
tors. eta vs tors. theta energy: -12.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -222.919373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.919373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.919373 (E_RNA)
where:
Base-Base interactions energy: -135.670
where: short stacking energy: -63.741
Base-Backbone interact. energy: 1.571
local terms energy: -88.820549
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -24.881
flat angles C4'-P-C4' energy: -21.644
flat angles P-C4'-P energy: -11.649
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: 1, replica: 5
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -371.143274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.143274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.143274 (E_RNA)
where:
Base-Base interactions energy: -247.924
where: short stacking energy: -112.618
Base-Backbone interact. energy: -0.037
local terms energy: -123.181988
where:
bonds (distance) C4'-P energy: -19.017
bonds (distance) P-C4' energy: -20.900
flat angles C4'-P-C4' energy: -26.090
flat angles P-C4'-P energy: -21.134
tors. eta vs tors. theta energy: -36.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -304.136692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.136692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.136692 (E_RNA)
where:
Base-Base interactions energy: -202.909
where: short stacking energy: -91.118
Base-Backbone interact. energy: -0.191
local terms energy: -101.036589
where:
bonds (distance) C4'-P energy: -18.015
bonds (distance) P-C4' energy: -20.486
flat angles C4'-P-C4' energy: -23.138
flat angles P-C4'-P energy: -16.643
tors. eta vs tors. theta energy: -22.754
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: 9
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -336.781065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.781065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.781065 (E_RNA)
where:
Base-Base interactions energy: -220.190
where: short stacking energy: -107.270
Base-Backbone interact. energy: -0.417
local terms energy: -116.174413
where:
bonds (distance) C4'-P energy: -24.164
bonds (distance) P-C4' energy: -22.715
flat angles C4'-P-C4' energy: -22.108
flat angles P-C4'-P energy: -17.185
tors. eta vs tors. theta energy: -30.003
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: 7
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -299.698620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.698620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.698620 (E_RNA)
where:
Base-Base interactions energy: -197.678
where: short stacking energy: -90.292
Base-Backbone interact. energy: -0.578
local terms energy: -101.442307
where:
bonds (distance) C4'-P energy: -20.938
bonds (distance) P-C4' energy: -19.662
flat angles C4'-P-C4' energy: -22.435
flat angles P-C4'-P energy: -14.941
tors. eta vs tors. theta energy: -23.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -276.228088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.228088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.228088 (E_RNA)
where:
Base-Base interactions energy: -177.419
where: short stacking energy: -79.364
Base-Backbone interact. energy: -0.320
local terms energy: -98.489101
where:
bonds (distance) C4'-P energy: -21.205
bonds (distance) P-C4' energy: -20.856
flat angles C4'-P-C4' energy: -22.802
flat angles P-C4'-P energy: -13.262
tors. eta vs tors. theta energy: -20.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -269.400260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.400260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.400260 (E_RNA)
where:
Base-Base interactions energy: -180.100
where: short stacking energy: -75.496
Base-Backbone interact. energy: -0.317
local terms energy: -88.983625
where:
bonds (distance) C4'-P energy: -21.052
bonds (distance) P-C4' energy: -22.109
flat angles C4'-P-C4' energy: -18.880
flat angles P-C4'-P energy: -12.744
tors. eta vs tors. theta energy: -14.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -252.380836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.380836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.380836 (E_RNA)
where:
Base-Base interactions energy: -155.710
where: short stacking energy: -63.672
Base-Backbone interact. energy: -0.518
local terms energy: -96.152590
where:
bonds (distance) C4'-P energy: -20.393
bonds (distance) P-C4' energy: -26.523
flat angles C4'-P-C4' energy: -24.902
flat angles P-C4'-P energy: -12.184
tors. eta vs tors. theta energy: -12.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -229.073426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.073426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.073426 (E_RNA)
where:
Base-Base interactions energy: -136.167
where: short stacking energy: -74.266
Base-Backbone interact. energy: -0.126
local terms energy: -92.780842
where:
bonds (distance) C4'-P energy: -17.281
bonds (distance) P-C4' energy: -23.632
flat angles C4'-P-C4' energy: -20.329
flat angles P-C4'-P energy: -14.628
tors. eta vs tors. theta energy: -16.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -212.426426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.426426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.426426 (E_RNA)
where:
Base-Base interactions energy: -130.968
where: short stacking energy: -49.300
Base-Backbone interact. energy: -0.236
local terms energy: -81.221554
where:
bonds (distance) C4'-P energy: -23.608
bonds (distance) P-C4' energy: -20.048
flat angles C4'-P-C4' energy: -18.318
flat angles P-C4'-P energy: -9.716
tors. eta vs tors. theta energy: -9.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -230.934069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.934069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.934069 (E_RNA)
where:
Base-Base interactions energy: -152.167
where: short stacking energy: -66.310
Base-Backbone interact. energy: -0.349
local terms energy: -78.417843
where:
bonds (distance) C4'-P energy: -19.750
bonds (distance) P-C4' energy: -16.282
flat angles C4'-P-C4' energy: -21.065
flat angles P-C4'-P energy: -12.774
tors. eta vs tors. theta energy: -8.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -367.772360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.772360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.772360 (E_RNA)
where:
Base-Base interactions energy: -245.970
where: short stacking energy: -111.740
Base-Backbone interact. energy: -0.386
local terms energy: -121.416247
where:
bonds (distance) C4'-P energy: -23.161
bonds (distance) P-C4' energy: -21.241
flat angles C4'-P-C4' energy: -23.350
flat angles P-C4'-P energy: -17.540
tors. eta vs tors. theta energy: -36.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -301.840792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.840792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.840792 (E_RNA)
where:
Base-Base interactions energy: -195.943
where: short stacking energy: -89.376
Base-Backbone interact. energy: -0.044
local terms energy: -105.853271
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -22.745
flat angles C4'-P-C4' energy: -24.075
flat angles P-C4'-P energy: -17.295
tors. eta vs tors. theta energy: -25.243
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: 7
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -330.703671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.703671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.703671 (E_RNA)
where:
Base-Base interactions energy: -221.077
where: short stacking energy: -97.335
Base-Backbone interact. energy: -1.820
local terms energy: -107.806364
where:
bonds (distance) C4'-P energy: -20.168
bonds (distance) P-C4' energy: -23.583
flat angles C4'-P-C4' energy: -23.772
flat angles P-C4'-P energy: -14.087
tors. eta vs tors. theta energy: -26.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -302.181420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.181420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.181420 (E_RNA)
where:
Base-Base interactions energy: -198.863
where: short stacking energy: -96.057
Base-Backbone interact. energy: 0.725
local terms energy: -104.042888
where:
bonds (distance) C4'-P energy: -24.454
bonds (distance) P-C4' energy: -17.304
flat angles C4'-P-C4' energy: -22.515
flat angles P-C4'-P energy: -15.719
tors. eta vs tors. theta energy: -24.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -277.162144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.162144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.162144 (E_RNA)
where:
Base-Base interactions energy: -172.638
where: short stacking energy: -81.705
Base-Backbone interact. energy: -0.250
local terms energy: -104.274035
where:
bonds (distance) C4'-P energy: -24.681
bonds (distance) P-C4' energy: -19.197
flat angles C4'-P-C4' energy: -22.634
flat angles P-C4'-P energy: -15.261
tors. eta vs tors. theta energy: -22.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -257.686938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.686938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.686938 (E_RNA)
where:
Base-Base interactions energy: -169.334
where: short stacking energy: -81.301
Base-Backbone interact. energy: -0.332
local terms energy: -88.020316
where:
bonds (distance) C4'-P energy: -18.374
bonds (distance) P-C4' energy: -22.190
flat angles C4'-P-C4' energy: -21.888
flat angles P-C4'-P energy: -10.691
tors. eta vs tors. theta energy: -14.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -253.052758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.052758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.052758 (E_RNA)
where:
Base-Base interactions energy: -173.923
where: short stacking energy: -83.125
Base-Backbone interact. energy: 0.313
local terms energy: -79.442223
where:
bonds (distance) C4'-P energy: -16.143
bonds (distance) P-C4' energy: -11.709
flat angles C4'-P-C4' energy: -20.608
flat angles P-C4'-P energy: -9.138
tors. eta vs tors. theta energy: -21.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -220.829032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.829032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.829032 (E_RNA)
where:
Base-Base interactions energy: -130.706
where: short stacking energy: -60.148
Base-Backbone interact. energy: -0.107
local terms energy: -90.015516
where:
bonds (distance) C4'-P energy: -18.157
bonds (distance) P-C4' energy: -24.496
flat angles C4'-P-C4' energy: -19.708
flat angles P-C4'-P energy: -12.681
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: 9, replica: 6
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -232.687583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.687583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.687583 (E_RNA)
where:
Base-Base interactions energy: -149.805
where: short stacking energy: -73.239
Base-Backbone interact. energy: -0.135
local terms energy: -82.747179
where:
bonds (distance) C4'-P energy: -11.276
bonds (distance) P-C4' energy: -25.531
flat angles C4'-P-C4' energy: -19.539
flat angles P-C4'-P energy: -9.399
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: 10, replica: 1
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -201.778179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.778179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.778179 (E_RNA)
where:
Base-Base interactions energy: -118.135
where: short stacking energy: -66.257
Base-Backbone interact. energy: -0.202
local terms energy: -83.441389
where:
bonds (distance) C4'-P energy: -22.203
bonds (distance) P-C4' energy: -25.611
flat angles C4'-P-C4' energy: -16.889
flat angles P-C4'-P energy: -7.541
tors. eta vs tors. theta energy: -11.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -371.069584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.069584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.069584 (E_RNA)
where:
Base-Base interactions energy: -258.198
where: short stacking energy: -102.098
Base-Backbone interact. energy: -0.641
local terms energy: -112.230762
where:
bonds (distance) C4'-P energy: -22.950
bonds (distance) P-C4' energy: -20.450
flat angles C4'-P-C4' energy: -22.375
flat angles P-C4'-P energy: -13.332
tors. eta vs tors. theta energy: -33.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -326.171928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.171928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.171928 (E_RNA)
where:
Base-Base interactions energy: -218.490
where: short stacking energy: -103.393
Base-Backbone interact. energy: -0.369
local terms energy: -107.312697
where:
bonds (distance) C4'-P energy: -20.905
bonds (distance) P-C4' energy: -22.842
flat angles C4'-P-C4' energy: -21.119
flat angles P-C4'-P energy: -14.084
tors. eta vs tors. theta energy: -28.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -303.305383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.305383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.305383 (E_RNA)
where:
Base-Base interactions energy: -203.354
where: short stacking energy: -81.825
Base-Backbone interact. energy: -0.275
local terms energy: -99.676496
where:
bonds (distance) C4'-P energy: -24.575
bonds (distance) P-C4' energy: -23.883
flat angles C4'-P-C4' energy: -19.031
flat angles P-C4'-P energy: -12.698
tors. eta vs tors. theta energy: -19.490
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: 2
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -285.425396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.425396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.425396 (E_RNA)
where:
Base-Base interactions energy: -180.229
where: short stacking energy: -95.262
Base-Backbone interact. energy: -0.693
local terms energy: -104.503549
where:
bonds (distance) C4'-P energy: -16.373
bonds (distance) P-C4' energy: -24.658
flat angles C4'-P-C4' energy: -24.968
flat angles P-C4'-P energy: -11.562
tors. eta vs tors. theta energy: -26.943
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: 83
Temperature: 1.100000
Total energy: -295.188164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.188164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.188164 (E_RNA)
where:
Base-Base interactions energy: -192.610
where: short stacking energy: -82.807
Base-Backbone interact. energy: -0.684
local terms energy: -101.894054
where:
bonds (distance) C4'-P energy: -21.125
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -19.690
flat angles P-C4'-P energy: -17.139
tors. eta vs tors. theta energy: -25.757
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: 4
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -281.687376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.687376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.687376 (E_RNA)
where:
Base-Base interactions energy: -189.252
where: short stacking energy: -73.035
Base-Backbone interact. energy: -1.663
local terms energy: -90.771718
where:
bonds (distance) C4'-P energy: -18.926
bonds (distance) P-C4' energy: -22.879
flat angles C4'-P-C4' energy: -19.985
flat angles P-C4'-P energy: -14.186
tors. eta vs tors. theta energy: -14.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -245.171607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.171607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.171607 (E_RNA)
where:
Base-Base interactions energy: -151.672
where: short stacking energy: -68.957
Base-Backbone interact. energy: -0.259
local terms energy: -93.240769
where:
bonds (distance) C4'-P energy: -17.751
bonds (distance) P-C4' energy: -16.324
flat angles C4'-P-C4' energy: -24.766
flat angles P-C4'-P energy: -17.265
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: 8, replica: 3
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -238.866857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.866857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.866857 (E_RNA)
where:
Base-Base interactions energy: -146.182
where: short stacking energy: -62.070
Base-Backbone interact. energy: -0.296
local terms energy: -92.388688
where:
bonds (distance) C4'-P energy: -23.755
bonds (distance) P-C4' energy: -19.085
flat angles C4'-P-C4' energy: -22.785
flat angles P-C4'-P energy: -11.459
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: 9, replica: 6
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -206.508054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.508054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.508054 (E_RNA)
where:
Base-Base interactions energy: -129.648
where: short stacking energy: -70.012
Base-Backbone interact. energy: -0.057
local terms energy: -76.802847
where:
bonds (distance) C4'-P energy: -25.145
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -13.530
flat angles P-C4'-P energy: -13.837
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: 10, replica: 1
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -200.723690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.723690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.723690 (E_RNA)
where:
Base-Base interactions energy: -120.791
where: short stacking energy: -59.178
Base-Backbone interact. energy: -0.457
local terms energy: -79.474989
where:
bonds (distance) C4'-P energy: -20.516
bonds (distance) P-C4' energy: -20.827
flat angles C4'-P-C4' energy: -17.618
flat angles P-C4'-P energy: -11.938
tors. eta vs tors. theta energy: -8.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -368.300581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.300581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.300581 (E_RNA)
where:
Base-Base interactions energy: -253.204
where: short stacking energy: -110.239
Base-Backbone interact. energy: -0.084
local terms energy: -115.012512
where:
bonds (distance) C4'-P energy: -25.281
bonds (distance) P-C4' energy: -19.361
flat angles C4'-P-C4' energy: -21.397
flat angles P-C4'-P energy: -14.299
tors. eta vs tors. theta energy: -34.675
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: 7
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -333.030752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.030752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.030752 (E_RNA)
where:
Base-Base interactions energy: -219.276
where: short stacking energy: -96.215
Base-Backbone interact. energy: -0.395
local terms energy: -113.359785
where:
bonds (distance) C4'-P energy: -24.561
bonds (distance) P-C4' energy: -25.194
flat angles C4'-P-C4' energy: -19.060
flat angles P-C4'-P energy: -19.957
tors. eta vs tors. theta energy: -24.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -294.545428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.545428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.545428 (E_RNA)
where:
Base-Base interactions energy: -190.355
where: short stacking energy: -89.216
Base-Backbone interact. energy: -0.125
local terms energy: -104.065151
where:
bonds (distance) C4'-P energy: -19.064
bonds (distance) P-C4' energy: -23.539
flat angles C4'-P-C4' energy: -23.481
flat angles P-C4'-P energy: -16.164
tors. eta vs tors. theta energy: -21.817
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: 8
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -300.887752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.887752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.887752 (E_RNA)
where:
Base-Base interactions energy: -201.581
where: short stacking energy: -84.530
Base-Backbone interact. energy: -3.160
local terms energy: -96.146497
where:
bonds (distance) C4'-P energy: -21.677
bonds (distance) P-C4' energy: -22.672
flat angles C4'-P-C4' energy: -18.226
flat angles P-C4'-P energy: -10.968
tors. eta vs tors. theta energy: -22.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -290.042399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.042399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.042399 (E_RNA)
where:
Base-Base interactions energy: -195.161
where: short stacking energy: -87.757
Base-Backbone interact. energy: -0.208
local terms energy: -94.673265
where:
bonds (distance) C4'-P energy: -22.281
bonds (distance) P-C4' energy: -18.630
flat angles C4'-P-C4' energy: -17.485
flat angles P-C4'-P energy: -16.981
tors. eta vs tors. theta energy: -19.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -247.086056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.086056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.086056 (E_RNA)
where:
Base-Base interactions energy: -159.377
where: short stacking energy: -64.941
Base-Backbone interact. energy: -0.181
local terms energy: -87.528454
where:
bonds (distance) C4'-P energy: -22.201
bonds (distance) P-C4' energy: -17.088
flat angles C4'-P-C4' energy: -22.346
flat angles P-C4'-P energy: -11.494
tors. eta vs tors. theta energy: -14.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -243.753324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.753324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.753324 (E_RNA)
where:
Base-Base interactions energy: -149.659
where: short stacking energy: -77.471
Base-Backbone interact. energy: -0.072
local terms energy: -94.021847
where:
bonds (distance) C4'-P energy: -19.635
bonds (distance) P-C4' energy: -25.509
flat angles C4'-P-C4' energy: -25.159
flat angles P-C4'-P energy: -9.401
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: 8, replica: 3
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -243.918451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.918451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.918451 (E_RNA)
where:
Base-Base interactions energy: -161.141
where: short stacking energy: -79.224
Base-Backbone interact. energy: -0.780
local terms energy: -81.996872
where:
bonds (distance) C4'-P energy: -15.044
bonds (distance) P-C4' energy: -24.952
flat angles C4'-P-C4' energy: -19.435
flat angles P-C4'-P energy: -6.422
tors. eta vs tors. theta energy: -16.144
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: 1
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -241.890599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.890599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.890599 (E_RNA)
where:
Base-Base interactions energy: -161.288
where: short stacking energy: -76.060
Base-Backbone interact. energy: 0.045
local terms energy: -80.647136
where:
bonds (distance) C4'-P energy: -19.196
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -20.695
flat angles P-C4'-P energy: -12.181
tors. eta vs tors. theta energy: -12.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -188.338165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.338165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.338165 (E_RNA)
where:
Base-Base interactions energy: -112.559
where: short stacking energy: -58.850
Base-Backbone interact. energy: -0.031
local terms energy: -75.747661
where:
bonds (distance) C4'-P energy: -18.173
bonds (distance) P-C4' energy: -20.039
flat angles C4'-P-C4' energy: -18.582
flat angles P-C4'-P energy: -11.955
tors. eta vs tors. theta energy: -6.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -370.401553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.401553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.401553 (E_RNA)
where:
Base-Base interactions energy: -253.323
where: short stacking energy: -98.880
Base-Backbone interact. energy: -0.125
local terms energy: -116.953909
where:
bonds (distance) C4'-P energy: -21.883
bonds (distance) P-C4' energy: -24.660
flat angles C4'-P-C4' energy: -24.280
flat angles P-C4'-P energy: -12.201
tors. eta vs tors. theta energy: -33.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -322.915085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.915085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.915085 (E_RNA)
where:
Base-Base interactions energy: -217.316
where: short stacking energy: -79.307
Base-Backbone interact. energy: 0.189
local terms energy: -105.788510
where:
bonds (distance) C4'-P energy: -24.272
bonds (distance) P-C4' energy: -20.536
flat angles C4'-P-C4' energy: -16.571
flat angles P-C4'-P energy: -19.358
tors. eta vs tors. theta energy: -25.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -303.318304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.318304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.318304 (E_RNA)
where:
Base-Base interactions energy: -196.666
where: short stacking energy: -105.436
Base-Backbone interact. energy: -0.019
local terms energy: -106.633007
where:
bonds (distance) C4'-P energy: -19.450
bonds (distance) P-C4' energy: -20.747
flat angles C4'-P-C4' energy: -20.040
flat angles P-C4'-P energy: -18.268
tors. eta vs tors. theta energy: -28.129
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: 85
Temperature: 1.050000
Total energy: -274.676378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.676378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.676378 (E_RNA)
where:
Base-Base interactions energy: -173.779
where: short stacking energy: -93.262
Base-Backbone interact. energy: 0.853
local terms energy: -101.750044
where:
bonds (distance) C4'-P energy: -22.020
bonds (distance) P-C4' energy: -20.616
flat angles C4'-P-C4' energy: -25.186
flat angles P-C4'-P energy: -10.991
tors. eta vs tors. theta energy: -22.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -306.872072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.872072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.872072 (E_RNA)
where:
Base-Base interactions energy: -202.355
where: short stacking energy: -91.423
Base-Backbone interact. energy: -0.168
local terms energy: -104.348253
where:
bonds (distance) C4'-P energy: -16.079
bonds (distance) P-C4' energy: -23.023
flat angles C4'-P-C4' energy: -24.773
flat angles P-C4'-P energy: -15.327
tors. eta vs tors. theta energy: -25.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -261.497644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.497644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.497644 (E_RNA)
where:
Base-Base interactions energy: -164.254
where: short stacking energy: -79.808
Base-Backbone interact. energy: -0.692
local terms energy: -96.551804
where:
bonds (distance) C4'-P energy: -19.609
bonds (distance) P-C4' energy: -26.667
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -14.490
tors. eta vs tors. theta energy: -19.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -239.682125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.682125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.682125 (E_RNA)
where:
Base-Base interactions energy: -151.557
where: short stacking energy: -73.757
Base-Backbone interact. energy: -1.047
local terms energy: -87.078415
where:
bonds (distance) C4'-P energy: -16.479
bonds (distance) P-C4' energy: -18.253
flat angles C4'-P-C4' energy: -21.230
flat angles P-C4'-P energy: -13.999
tors. eta vs tors. theta energy: -17.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -237.574833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.574833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.574833 (E_RNA)
where:
Base-Base interactions energy: -163.892
where: short stacking energy: -81.779
Base-Backbone interact. energy: 0.536
local terms energy: -74.218278
where:
bonds (distance) C4'-P energy: -11.959
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -10.744
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -24.421
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: 85
Temperature: 1.300000
Total energy: -259.841419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.841419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.841419 (E_RNA)
where:
Base-Base interactions energy: -162.208
where: short stacking energy: -75.593
Base-Backbone interact. energy: -0.176
local terms energy: -97.457644
where:
bonds (distance) C4'-P energy: -25.588
bonds (distance) P-C4' energy: -21.852
flat angles C4'-P-C4' energy: -22.765
flat angles P-C4'-P energy: -11.642
tors. eta vs tors. theta energy: -15.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -198.091283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.091283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.091283 (E_RNA)
where:
Base-Base interactions energy: -121.849
where: short stacking energy: -61.221
Base-Backbone interact. energy: 1.510
local terms energy: -77.752555
where:
bonds (distance) C4'-P energy: -17.171
bonds (distance) P-C4' energy: -18.044
flat angles C4'-P-C4' energy: -23.653
flat angles P-C4'-P energy: -6.411
tors. eta vs tors. theta energy: -12.474
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: 5
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -372.833717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.833717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.833717 (E_RNA)
where:
Base-Base interactions energy: -247.927
where: short stacking energy: -113.210
Base-Backbone interact. energy: -0.402
local terms energy: -124.504822
where:
bonds (distance) C4'-P energy: -24.880
bonds (distance) P-C4' energy: -25.236
flat angles C4'-P-C4' energy: -24.543
flat angles P-C4'-P energy: -15.503
tors. eta vs tors. theta energy: -34.342
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: 7
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -329.253833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.253833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.253833 (E_RNA)
where:
Base-Base interactions energy: -223.989
where: short stacking energy: -87.831
Base-Backbone interact. energy: -0.636
local terms energy: -104.628779
where:
bonds (distance) C4'-P energy: -23.103
bonds (distance) P-C4' energy: -23.943
flat angles C4'-P-C4' energy: -20.703
flat angles P-C4'-P energy: -16.333
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: 3, replica: 2
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -300.546445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.546445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.546445 (E_RNA)
where:
Base-Base interactions energy: -201.405
where: short stacking energy: -94.989
Base-Backbone interact. energy: -0.045
local terms energy: -99.096397
where:
bonds (distance) C4'-P energy: -19.561
bonds (distance) P-C4' energy: -18.666
flat angles C4'-P-C4' energy: -24.650
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -27.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -274.169632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.169632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.169632 (E_RNA)
where:
Base-Base interactions energy: -176.751
where: short stacking energy: -78.090
Base-Backbone interact. energy: -0.428
local terms energy: -96.990497
where:
bonds (distance) C4'-P energy: -22.712
bonds (distance) P-C4' energy: -22.328
flat angles C4'-P-C4' energy: -19.078
flat angles P-C4'-P energy: -14.894
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: 5, replica: 8
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -289.127164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.127164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.127164 (E_RNA)
where:
Base-Base interactions energy: -174.340
where: short stacking energy: -85.787
Base-Backbone interact. energy: -0.339
local terms energy: -114.447536
where:
bonds (distance) C4'-P energy: -22.151
bonds (distance) P-C4' energy: -25.102
flat angles C4'-P-C4' energy: -26.684
flat angles P-C4'-P energy: -15.432
tors. eta vs tors. theta energy: -25.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -267.090212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.090212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.090212 (E_RNA)
where:
Base-Base interactions energy: -168.066
where: short stacking energy: -80.276
Base-Backbone interact. energy: 0.514
local terms energy: -99.538241
where:
bonds (distance) C4'-P energy: -21.638
bonds (distance) P-C4' energy: -21.060
flat angles C4'-P-C4' energy: -22.496
flat angles P-C4'-P energy: -12.663
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: 7, replica: 3
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -253.875351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.875351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.875351 (E_RNA)
where:
Base-Base interactions energy: -158.245
where: short stacking energy: -71.183
Base-Backbone interact. energy: 0.123
local terms energy: -95.752720
where:
bonds (distance) C4'-P energy: -20.324
bonds (distance) P-C4' energy: -19.731
flat angles C4'-P-C4' energy: -21.269
flat angles P-C4'-P energy: -13.547
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: 8, replica: 4
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -256.366048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.366048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.366048 (E_RNA)
where:
Base-Base interactions energy: -162.399
where: short stacking energy: -80.005
Base-Backbone interact. energy: -0.030
local terms energy: -93.937758
where:
bonds (distance) C4'-P energy: -18.972
bonds (distance) P-C4' energy: -19.370
flat angles C4'-P-C4' energy: -22.482
flat angles P-C4'-P energy: -17.368
tors. eta vs tors. theta energy: -15.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -222.036745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.036745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.036745 (E_RNA)
where:
Base-Base interactions energy: -146.544
where: short stacking energy: -63.507
Base-Backbone interact. energy: 3.295
local terms energy: -78.786829
where:
bonds (distance) C4'-P energy: -18.474
bonds (distance) P-C4' energy: -19.033
flat angles C4'-P-C4' energy: -19.783
flat angles P-C4'-P energy: -11.695
tors. eta vs tors. theta energy: -9.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -200.600965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.600965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.600965 (E_RNA)
where:
Base-Base interactions energy: -121.185
where: short stacking energy: -55.320
Base-Backbone interact. energy: -0.017
local terms energy: -79.399305
where:
bonds (distance) C4'-P energy: -23.948
bonds (distance) P-C4' energy: -17.934
flat angles C4'-P-C4' energy: -12.051
flat angles P-C4'-P energy: -15.695
tors. eta vs tors. theta energy: -9.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -368.215301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.215301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.215301 (E_RNA)
where:
Base-Base interactions energy: -252.713
where: short stacking energy: -105.175
Base-Backbone interact. energy: 0.068
local terms energy: -115.569704
where:
bonds (distance) C4'-P energy: -16.727
bonds (distance) P-C4' energy: -24.471
flat angles C4'-P-C4' energy: -25.224
flat angles P-C4'-P energy: -14.269
tors. eta vs tors. theta energy: -34.878
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: 7
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -336.568640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.568640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.568640 (E_RNA)
where:
Base-Base interactions energy: -223.638
where: short stacking energy: -103.683
Base-Backbone interact. energy: -0.099
local terms energy: -112.831549
where:
bonds (distance) C4'-P energy: -24.722
bonds (distance) P-C4' energy: -16.162
flat angles C4'-P-C4' energy: -25.667
flat angles P-C4'-P energy: -17.177
tors. eta vs tors. theta energy: -29.104
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: 2
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -300.540670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.540670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.540670 (E_RNA)
where:
Base-Base interactions energy: -189.704
where: short stacking energy: -82.420
Base-Backbone interact. energy: -0.203
local terms energy: -110.633289
where:
bonds (distance) C4'-P energy: -21.698
bonds (distance) P-C4' energy: -21.820
flat angles C4'-P-C4' energy: -25.822
flat angles P-C4'-P energy: -16.005
tors. eta vs tors. theta energy: -25.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -279.962630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.962630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.962630 (E_RNA)
where:
Base-Base interactions energy: -187.351
where: short stacking energy: -72.635
Base-Backbone interact. energy: -0.477
local terms energy: -92.135294
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -22.698
flat angles C4'-P-C4' energy: -25.139
flat angles P-C4'-P energy: -13.425
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: 5, replica: 8
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -302.624433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.624433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.624433 (E_RNA)
where:
Base-Base interactions energy: -191.543
where: short stacking energy: -97.123
Base-Backbone interact. energy: -0.089
local terms energy: -110.992760
where:
bonds (distance) C4'-P energy: -21.274
bonds (distance) P-C4' energy: -22.376
flat angles C4'-P-C4' energy: -24.598
flat angles P-C4'-P energy: -15.980
tors. eta vs tors. theta energy: -26.765
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: 87
Temperature: 1.150000
Total energy: -267.912651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.912651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.912651 (E_RNA)
where:
Base-Base interactions energy: -166.326
where: short stacking energy: -83.619
Base-Backbone interact. energy: -0.205
local terms energy: -101.381419
where:
bonds (distance) C4'-P energy: -22.596
bonds (distance) P-C4' energy: -25.809
flat angles C4'-P-C4' energy: -21.066
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -20.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -263.879191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.879191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.879191 (E_RNA)
where:
Base-Base interactions energy: -162.679
where: short stacking energy: -76.263
Base-Backbone interact. energy: -1.096
local terms energy: -100.104463
where:
bonds (distance) C4'-P energy: -22.391
bonds (distance) P-C4' energy: -23.388
flat angles C4'-P-C4' energy: -22.222
flat angles P-C4'-P energy: -18.560
tors. eta vs tors. theta energy: -13.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -258.572730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.572730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.572730 (E_RNA)
where:
Base-Base interactions energy: -176.508
where: short stacking energy: -73.367
Base-Backbone interact. energy: 0.427
local terms energy: -82.491778
where:
bonds (distance) C4'-P energy: -21.760
bonds (distance) P-C4' energy: -22.537
flat angles C4'-P-C4' energy: -9.096
flat angles P-C4'-P energy: -15.543
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: 9, replica: 4
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -247.250022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.250022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.250022 (E_RNA)
where:
Base-Base interactions energy: -162.876
where: short stacking energy: -70.208
Base-Backbone interact. energy: -0.154
local terms energy: -84.220298
where:
bonds (distance) C4'-P energy: -20.003
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -19.711
flat angles P-C4'-P energy: -11.583
tors. eta vs tors. theta energy: -17.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -214.444745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.444745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.444745 (E_RNA)
where:
Base-Base interactions energy: -131.740
where: short stacking energy: -65.011
Base-Backbone interact. energy: -0.497
local terms energy: -82.208043
where:
bonds (distance) C4'-P energy: -18.673
bonds (distance) P-C4' energy: -16.358
flat angles C4'-P-C4' energy: -13.335
flat angles P-C4'-P energy: -16.370
tors. eta vs tors. theta energy: -17.472
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: 1, replica: 5
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -366.179211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.179211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.179211 (E_RNA)
where:
Base-Base interactions energy: -248.888
where: short stacking energy: -109.974
Base-Backbone interact. energy: 0.163
local terms energy: -117.453937
where:
bonds (distance) C4'-P energy: -21.920
bonds (distance) P-C4' energy: -17.186
flat angles C4'-P-C4' energy: -23.552
flat angles P-C4'-P energy: -19.728
tors. eta vs tors. theta energy: -35.069
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: 2, replica: 7
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -322.783224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.783224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.783224 (E_RNA)
where:
Base-Base interactions energy: -213.074
where: short stacking energy: -89.424
Base-Backbone interact. energy: -0.173
local terms energy: -109.536167
where:
bonds (distance) C4'-P energy: -22.526
bonds (distance) P-C4' energy: -20.695
flat angles C4'-P-C4' energy: -20.804
flat angles P-C4'-P energy: -17.853
tors. eta vs tors. theta energy: -27.659
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: 3, replica: 2
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -293.645899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.645899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.645899 (E_RNA)
where:
Base-Base interactions energy: -184.325
where: short stacking energy: -91.482
Base-Backbone interact. energy: -0.102
local terms energy: -109.218442
where:
bonds (distance) C4'-P energy: -23.223
bonds (distance) P-C4' energy: -24.985
flat angles C4'-P-C4' energy: -20.844
flat angles P-C4'-P energy: -17.009
tors. eta vs tors. theta energy: -23.158
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: 88
Temperature: 1.050000
Total energy: -280.891023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.891023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.891023 (E_RNA)
where:
Base-Base interactions energy: -178.313
where: short stacking energy: -79.590
Base-Backbone interact. energy: -0.455
local terms energy: -102.123062
where:
bonds (distance) C4'-P energy: -24.535
bonds (distance) P-C4' energy: -25.688
flat angles C4'-P-C4' energy: -22.332
flat angles P-C4'-P energy: -11.445
tors. eta vs tors. theta energy: -18.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -261.075054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.075054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.075054 (E_RNA)
where:
Base-Base interactions energy: -169.456
where: short stacking energy: -72.541
Base-Backbone interact. energy: -0.143
local terms energy: -91.476210
where:
bonds (distance) C4'-P energy: -24.264
bonds (distance) P-C4' energy: -21.076
flat angles C4'-P-C4' energy: -17.756
flat angles P-C4'-P energy: -17.651
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: 6, replica: 8
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -259.302784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.302784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.302784 (E_RNA)
where:
Base-Base interactions energy: -156.048
where: short stacking energy: -67.580
Base-Backbone interact. energy: -0.874
local terms energy: -102.380424
where:
bonds (distance) C4'-P energy: -20.194
bonds (distance) P-C4' energy: -23.703
flat angles C4'-P-C4' energy: -24.242
flat angles P-C4'-P energy: -18.001
tors. eta vs tors. theta energy: -16.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -238.332373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.332373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.332373 (E_RNA)
where:
Base-Base interactions energy: -160.266
where: short stacking energy: -70.484
Base-Backbone interact. energy: -0.251
local terms energy: -77.815479
where:
bonds (distance) C4'-P energy: -19.290
bonds (distance) P-C4' energy: -19.853
flat angles C4'-P-C4' energy: -17.391
flat angles P-C4'-P energy: -11.634
tors. eta vs tors. theta energy: -9.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -244.505408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.505408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.505408 (E_RNA)
where:
Base-Base interactions energy: -149.342
where: short stacking energy: -65.694
Base-Backbone interact. energy: -0.361
local terms energy: -94.802038
where:
bonds (distance) C4'-P energy: -19.838
bonds (distance) P-C4' energy: -21.989
flat angles C4'-P-C4' energy: -18.476
flat angles P-C4'-P energy: -13.162
tors. eta vs tors. theta energy: -21.337
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: 9, replica: 6
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -204.118234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.118234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.118234 (E_RNA)
where:
Base-Base interactions energy: -118.329
where: short stacking energy: -57.516
Base-Backbone interact. energy: -2.296
local terms energy: -83.492440
where:
bonds (distance) C4'-P energy: -22.835
bonds (distance) P-C4' energy: -18.470
flat angles C4'-P-C4' energy: -11.529
flat angles P-C4'-P energy: -14.920
tors. eta vs tors. theta energy: -15.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -236.593240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.593240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.593240 (E_RNA)
where:
Base-Base interactions energy: -160.143
where: short stacking energy: -70.039
Base-Backbone interact. energy: 1.309
local terms energy: -77.758822
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -18.021
flat angles C4'-P-C4' energy: -20.830
flat angles P-C4'-P energy: -13.359
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: 1, replica: 5
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -365.295064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.295064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.295064 (E_RNA)
where:
Base-Base interactions energy: -248.692
where: short stacking energy: -107.387
Base-Backbone interact. energy: -0.638
local terms energy: -115.964530
where:
bonds (distance) C4'-P energy: -21.292
bonds (distance) P-C4' energy: -26.961
flat angles C4'-P-C4' energy: -21.825
flat angles P-C4'-P energy: -15.175
tors. eta vs tors. theta energy: -30.712
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: 89
Temperature: 0.950000
Total energy: -308.478756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.478756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.478756 (E_RNA)
where:
Base-Base interactions energy: -198.689
where: short stacking energy: -96.561
Base-Backbone interact. energy: -0.294
local terms energy: -109.495272
where:
bonds (distance) C4'-P energy: -25.426
bonds (distance) P-C4' energy: -21.401
flat angles C4'-P-C4' energy: -21.742
flat angles P-C4'-P energy: -17.113
tors. eta vs tors. theta energy: -23.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -328.149533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.149533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.149533 (E_RNA)
where:
Base-Base interactions energy: -215.422
where: short stacking energy: -102.930
Base-Backbone interact. energy: -0.085
local terms energy: -112.642221
where:
bonds (distance) C4'-P energy: -17.675
bonds (distance) P-C4' energy: -22.458
flat angles C4'-P-C4' energy: -22.407
flat angles P-C4'-P energy: -18.572
tors. eta vs tors. theta energy: -31.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -283.322961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.322961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.322961 (E_RNA)
where:
Base-Base interactions energy: -189.469
where: short stacking energy: -91.087
Base-Backbone interact. energy: -1.036
local terms energy: -92.817046
where:
bonds (distance) C4'-P energy: -16.691
bonds (distance) P-C4' energy: -19.997
flat angles C4'-P-C4' energy: -19.781
flat angles P-C4'-P energy: -13.983
tors. eta vs tors. theta energy: -22.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -292.280364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.280364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.280364 (E_RNA)
where:
Base-Base interactions energy: -193.181
where: short stacking energy: -91.968
Base-Backbone interact. energy: -0.119
local terms energy: -98.980337
where:
bonds (distance) C4'-P energy: -19.470
bonds (distance) P-C4' energy: -24.906
flat angles C4'-P-C4' energy: -20.413
flat angles P-C4'-P energy: -13.411
tors. eta vs tors. theta energy: -20.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -268.214769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.214769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.214769 (E_RNA)
where:
Base-Base interactions energy: -171.744
where: short stacking energy: -83.227
Base-Backbone interact. energy: 0.482
local terms energy: -96.952896
where:
bonds (distance) C4'-P energy: -20.255
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -19.375
flat angles P-C4'-P energy: -14.977
tors. eta vs tors. theta energy: -26.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -251.969284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.969284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.969284 (E_RNA)
where:
Base-Base interactions energy: -158.428
where: short stacking energy: -76.150
Base-Backbone interact. energy: -0.783
local terms energy: -92.758606
where:
bonds (distance) C4'-P energy: -15.155
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -17.496
tors. eta vs tors. theta energy: -20.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -253.927226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.927226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.927226 (E_RNA)
where:
Base-Base interactions energy: -157.714
where: short stacking energy: -62.768
Base-Backbone interact. energy: -0.155
local terms energy: -96.058318
where:
bonds (distance) C4'-P energy: -20.777
bonds (distance) P-C4' energy: -20.798
flat angles C4'-P-C4' energy: -22.832
flat angles P-C4'-P energy: -13.997
tors. eta vs tors. theta energy: -17.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -202.626143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.626143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.626143 (E_RNA)
where:
Base-Base interactions energy: -130.486
where: short stacking energy: -54.172
Base-Backbone interact. energy: 2.075
local terms energy: -74.215622
where:
bonds (distance) C4'-P energy: -21.217
bonds (distance) P-C4' energy: -14.073
flat angles C4'-P-C4' energy: -17.079
flat angles P-C4'-P energy: -10.507
tors. eta vs tors. theta energy: -11.340
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: 4
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -190.796631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.796631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.796631 (E_RNA)
where:
Base-Base interactions energy: -116.411
where: short stacking energy: -44.334
Base-Backbone interact. energy: 3.230
local terms energy: -77.615152
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -20.527
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: -8.424
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: 5
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -363.384973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.384973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.384973 (E_RNA)
where:
Base-Base interactions energy: -241.018
where: short stacking energy: -107.633
Base-Backbone interact. energy: -0.052
local terms energy: -122.314807
where:
bonds (distance) C4'-P energy: -25.555
bonds (distance) P-C4' energy: -20.917
flat angles C4'-P-C4' energy: -29.029
flat angles P-C4'-P energy: -16.265
tors. eta vs tors. theta energy: -30.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -313.728054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.728054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.728054 (E_RNA)
where:
Base-Base interactions energy: -202.799
where: short stacking energy: -97.322
Base-Backbone interact. energy: -0.305
local terms energy: -110.623954
where:
bonds (distance) C4'-P energy: -18.359
bonds (distance) P-C4' energy: -28.358
flat angles C4'-P-C4' energy: -24.888
flat angles P-C4'-P energy: -11.591
tors. eta vs tors. theta energy: -27.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -356.053864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.053864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.053864 (E_RNA)
where:
Base-Base interactions energy: -255.839
where: short stacking energy: -80.339
Base-Backbone interact. energy: -2.054
local terms energy: -98.160928
where:
bonds (distance) C4'-P energy: -15.248
bonds (distance) P-C4' energy: -20.589
flat angles C4'-P-C4' energy: -19.520
flat angles P-C4'-P energy: -16.748
tors. eta vs tors. theta energy: -26.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -295.390625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.390625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.390625 (E_RNA)
where:
Base-Base interactions energy: -191.863
where: short stacking energy: -92.406
Base-Backbone interact. energy: 0.365
local terms energy: -103.892070
where:
bonds (distance) C4'-P energy: -20.025
bonds (distance) P-C4' energy: -25.852
flat angles C4'-P-C4' energy: -23.836
flat angles P-C4'-P energy: -12.500
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: 5, replica: 3
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -284.631210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.631210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.631210 (E_RNA)
where:
Base-Base interactions energy: -185.319
where: short stacking energy: -84.387
Base-Backbone interact. energy: -0.133
local terms energy: -99.178719
where:
bonds (distance) C4'-P energy: -22.955
bonds (distance) P-C4' energy: -21.344
flat angles C4'-P-C4' energy: -22.224
flat angles P-C4'-P energy: -10.909
tors. eta vs tors. theta energy: -21.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -280.312859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.312859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.312859 (E_RNA)
where:
Base-Base interactions energy: -185.089
where: short stacking energy: -76.077
Base-Backbone interact. energy: -0.207
local terms energy: -95.016731
where:
bonds (distance) C4'-P energy: -20.395
bonds (distance) P-C4' energy: -18.547
flat angles C4'-P-C4' energy: -21.317
flat angles P-C4'-P energy: -13.662
tors. eta vs tors. theta energy: -21.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -251.142505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.142505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.142505 (E_RNA)
where:
Base-Base interactions energy: -164.310
where: short stacking energy: -70.489
Base-Backbone interact. energy: -0.134
local terms energy: -86.697883
where:
bonds (distance) C4'-P energy: -21.634
bonds (distance) P-C4' energy: -17.098
flat angles C4'-P-C4' energy: -21.015
flat angles P-C4'-P energy: -7.590
tors. eta vs tors. theta energy: -19.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -246.084246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.084246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.084246 (E_RNA)
where:
Base-Base interactions energy: -153.445
where: short stacking energy: -73.267
Base-Backbone interact. energy: -0.441
local terms energy: -92.198032
where:
bonds (distance) C4'-P energy: -22.499
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -22.890
flat angles P-C4'-P energy: -19.096
tors. eta vs tors. theta energy: -12.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -199.943222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.943222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.943222 (E_RNA)
where:
Base-Base interactions energy: -131.792
where: short stacking energy: -43.966
Base-Backbone interact. energy: -0.296
local terms energy: -67.854948
where:
bonds (distance) C4'-P energy: -20.254
bonds (distance) P-C4' energy: -19.495
flat angles C4'-P-C4' energy: -7.786
flat angles P-C4'-P energy: -14.561
tors. eta vs tors. theta energy: -5.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -224.213909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.213909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.213909 (E_RNA)
where:
Base-Base interactions energy: -146.413
where: short stacking energy: -65.918
Base-Backbone interact. energy: 0.888
local terms energy: -78.689171
where:
bonds (distance) C4'-P energy: -20.632
bonds (distance) P-C4' energy: -16.549
flat angles C4'-P-C4' energy: -19.718
flat angles P-C4'-P energy: -12.286
tors. eta vs tors. theta energy: -9.505
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: 5
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -368.862385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.862385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.862385 (E_RNA)
where:
Base-Base interactions energy: -255.400
where: short stacking energy: -113.298
Base-Backbone interact. energy: 0.224
local terms energy: -113.685896
where:
bonds (distance) C4'-P energy: -22.618
bonds (distance) P-C4' energy: -18.617
flat angles C4'-P-C4' energy: -25.131
flat angles P-C4'-P energy: -13.796
tors. eta vs tors. theta energy: -33.524
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: 7
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -351.910591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.910591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.910591 (E_RNA)
where:
Base-Base interactions energy: -250.125
where: short stacking energy: -84.639
Base-Backbone interact. energy: -1.209
local terms energy: -100.576359
where:
bonds (distance) C4'-P energy: -18.728
bonds (distance) P-C4' energy: -24.453
flat angles C4'-P-C4' energy: -21.754
flat angles P-C4'-P energy: -9.745
tors. eta vs tors. theta energy: -25.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -314.757569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.757569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.757569 (E_RNA)
where:
Base-Base interactions energy: -198.990
where: short stacking energy: -102.226
Base-Backbone interact. energy: -0.107
local terms energy: -115.660339
where:
bonds (distance) C4'-P energy: -21.689
bonds (distance) P-C4' energy: -26.311
flat angles C4'-P-C4' energy: -24.528
flat angles P-C4'-P energy: -15.379
tors. eta vs tors. theta energy: -27.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -263.699298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.699298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.699298 (E_RNA)
where:
Base-Base interactions energy: -168.215
where: short stacking energy: -73.371
Base-Backbone interact. energy: -0.805
local terms energy: -94.679382
where:
bonds (distance) C4'-P energy: -20.807
bonds (distance) P-C4' energy: -21.758
flat angles C4'-P-C4' energy: -23.579
flat angles P-C4'-P energy: -12.126
tors. eta vs tors. theta energy: -16.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -287.371722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.371722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.371722 (E_RNA)
where:
Base-Base interactions energy: -192.303
where: short stacking energy: -102.608
Base-Backbone interact. energy: -0.222
local terms energy: -94.846886
where:
bonds (distance) C4'-P energy: -22.227
bonds (distance) P-C4' energy: -16.046
flat angles C4'-P-C4' energy: -23.202
flat angles P-C4'-P energy: -12.752
tors. eta vs tors. theta energy: -20.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -271.953825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.953825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.953825 (E_RNA)
where:
Base-Base interactions energy: -178.536
where: short stacking energy: -74.577
Base-Backbone interact. energy: -0.326
local terms energy: -93.092046
where:
bonds (distance) C4'-P energy: -15.744
bonds (distance) P-C4' energy: -23.546
flat angles C4'-P-C4' energy: -22.247
flat angles P-C4'-P energy: -17.000
tors. eta vs tors. theta energy: -14.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -237.318448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.318448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.318448 (E_RNA)
where:
Base-Base interactions energy: -147.860
where: short stacking energy: -61.764
Base-Backbone interact. energy: -0.033
local terms energy: -89.425543
where:
bonds (distance) C4'-P energy: -23.502
bonds (distance) P-C4' energy: -18.677
flat angles C4'-P-C4' energy: -17.240
flat angles P-C4'-P energy: -17.042
tors. eta vs tors. theta energy: -12.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -244.078342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.078342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.078342 (E_RNA)
where:
Base-Base interactions energy: -157.325
where: short stacking energy: -66.193
Base-Backbone interact. energy: -0.450
local terms energy: -86.303081
where:
bonds (distance) C4'-P energy: -21.012
bonds (distance) P-C4' energy: -24.440
flat angles C4'-P-C4' energy: -17.067
flat angles P-C4'-P energy: -12.489
tors. eta vs tors. theta energy: -11.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -193.183538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.183538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.183538 (E_RNA)
where:
Base-Base interactions energy: -124.055
where: short stacking energy: -59.907
Base-Backbone interact. energy: -0.811
local terms energy: -68.317809
where:
bonds (distance) C4'-P energy: -9.745
bonds (distance) P-C4' energy: -22.610
flat angles C4'-P-C4' energy: -17.940
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: -9.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -223.283815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.283815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.283815 (E_RNA)
where:
Base-Base interactions energy: -147.390
where: short stacking energy: -59.387
Base-Backbone interact. energy: -0.828
local terms energy: -75.065985
where:
bonds (distance) C4'-P energy: -21.535
bonds (distance) P-C4' energy: -18.483
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -11.887
tors. eta vs tors. theta energy: -6.472
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: 1, replica: 7
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -365.625809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.625809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.625809 (E_RNA)
where:
Base-Base interactions energy: -256.434
where: short stacking energy: -97.371
Base-Backbone interact. energy: -0.742
local terms energy: -108.449494
where:
bonds (distance) C4'-P energy: -21.723
bonds (distance) P-C4' energy: -24.133
flat angles C4'-P-C4' energy: -19.777
flat angles P-C4'-P energy: -14.644
tors. eta vs tors. theta energy: -28.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -365.859473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.859473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.859473 (E_RNA)
where:
Base-Base interactions energy: -251.107
where: short stacking energy: -107.529
Base-Backbone interact. energy: -0.418
local terms energy: -114.334681
where:
bonds (distance) C4'-P energy: -23.360
bonds (distance) P-C4' energy: -20.737
flat angles C4'-P-C4' energy: -23.653
flat angles P-C4'-P energy: -14.610
tors. eta vs tors. theta energy: -31.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -319.465422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.465422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.465422 (E_RNA)
where:
Base-Base interactions energy: -204.711
where: short stacking energy: -86.167
Base-Backbone interact. energy: -0.627
local terms energy: -114.127299
where:
bonds (distance) C4'-P energy: -25.000
bonds (distance) P-C4' energy: -24.981
flat angles C4'-P-C4' energy: -23.261
flat angles P-C4'-P energy: -13.069
tors. eta vs tors. theta energy: -27.817
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: 9
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -284.696141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.696141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.696141 (E_RNA)
where:
Base-Base interactions energy: -186.311
where: short stacking energy: -95.119
Base-Backbone interact. energy: -0.574
local terms energy: -97.810675
where:
bonds (distance) C4'-P energy: -17.640
bonds (distance) P-C4' energy: -20.294
flat angles C4'-P-C4' energy: -20.975
flat angles P-C4'-P energy: -15.665
tors. eta vs tors. theta energy: -23.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -261.705539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.705539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.705539 (E_RNA)
where:
Base-Base interactions energy: -163.037
where: short stacking energy: -80.050
Base-Backbone interact. energy: -0.473
local terms energy: -98.195643
where:
bonds (distance) C4'-P energy: -17.987
bonds (distance) P-C4' energy: -21.982
flat angles C4'-P-C4' energy: -20.072
flat angles P-C4'-P energy: -13.002
tors. eta vs tors. theta energy: -25.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -273.549676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.549676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.549676 (E_RNA)
where:
Base-Base interactions energy: -180.293
where: short stacking energy: -78.909
Base-Backbone interact. energy: 0.538
local terms energy: -93.794961
where:
bonds (distance) C4'-P energy: -20.124
bonds (distance) P-C4' energy: -18.080
flat angles C4'-P-C4' energy: -21.843
flat angles P-C4'-P energy: -13.575
tors. eta vs tors. theta energy: -20.174
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: 92
Temperature: 1.200000
Total energy: -244.028107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.028107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.028107 (E_RNA)
where:
Base-Base interactions energy: -147.820
where: short stacking energy: -72.842
Base-Backbone interact. energy: -0.145
local terms energy: -96.062737
where:
bonds (distance) C4'-P energy: -22.036
bonds (distance) P-C4' energy: -18.140
flat angles C4'-P-C4' energy: -25.195
flat angles P-C4'-P energy: -14.240
tors. eta vs tors. theta energy: -16.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -246.069658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.069658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.069658 (E_RNA)
where:
Base-Base interactions energy: -161.905
where: short stacking energy: -78.683
Base-Backbone interact. energy: -0.497
local terms energy: -83.667662
where:
bonds (distance) C4'-P energy: -19.296
bonds (distance) P-C4' energy: -16.602
flat angles C4'-P-C4' energy: -22.584
flat angles P-C4'-P energy: -11.327
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: 9, replica: 6
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -214.580554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.580554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.580554 (E_RNA)
where:
Base-Base interactions energy: -132.534
where: short stacking energy: -71.769
Base-Backbone interact. energy: -0.785
local terms energy: -81.261521
where:
bonds (distance) C4'-P energy: -18.819
bonds (distance) P-C4' energy: -22.169
flat angles C4'-P-C4' energy: -12.293
flat angles P-C4'-P energy: -11.110
tors. eta vs tors. theta energy: -16.871
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: 4
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -198.016442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.016442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.016442 (E_RNA)
where:
Base-Base interactions energy: -122.945
where: short stacking energy: -59.389
Base-Backbone interact. energy: -1.056
local terms energy: -74.015433
where:
bonds (distance) C4'-P energy: -19.538
bonds (distance) P-C4' energy: -20.784
flat angles C4'-P-C4' energy: -14.989
flat angles P-C4'-P energy: -9.817
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: 1, replica: 7
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -362.187815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.187815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.187815 (E_RNA)
where:
Base-Base interactions energy: -259.981
where: short stacking energy: -103.870
Base-Backbone interact. energy: -0.562
local terms energy: -101.644785
where:
bonds (distance) C4'-P energy: -18.496
bonds (distance) P-C4' energy: -23.286
flat angles C4'-P-C4' energy: -20.802
flat angles P-C4'-P energy: -11.990
tors. eta vs tors. theta energy: -27.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -362.345506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.345506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.345506 (E_RNA)
where:
Base-Base interactions energy: -249.710
where: short stacking energy: -113.160
Base-Backbone interact. energy: 1.005
local terms energy: -113.641064
where:
bonds (distance) C4'-P energy: -19.828
bonds (distance) P-C4' energy: -21.254
flat angles C4'-P-C4' energy: -23.016
flat angles P-C4'-P energy: -14.544
tors. eta vs tors. theta energy: -34.998
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: 2
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -313.629080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.629080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.629080 (E_RNA)
where:
Base-Base interactions energy: -211.996
where: short stacking energy: -94.668
Base-Backbone interact. energy: -1.158
local terms energy: -100.475543
where:
bonds (distance) C4'-P energy: -18.977
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -26.275
flat angles P-C4'-P energy: -15.139
tors. eta vs tors. theta energy: -24.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -290.489516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.489516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.489516 (E_RNA)
where:
Base-Base interactions energy: -183.535
where: short stacking energy: -92.382
Base-Backbone interact. energy: -0.820
local terms energy: -106.134407
where:
bonds (distance) C4'-P energy: -17.196
bonds (distance) P-C4' energy: -23.152
flat angles C4'-P-C4' energy: -23.370
flat angles P-C4'-P energy: -15.810
tors. eta vs tors. theta energy: -26.606
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: 8
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -277.327119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.327119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.327119 (E_RNA)
where:
Base-Base interactions energy: -177.244
where: short stacking energy: -80.151
Base-Backbone interact. energy: 0.047
local terms energy: -100.130201
where:
bonds (distance) C4'-P energy: -22.920
bonds (distance) P-C4' energy: -19.964
flat angles C4'-P-C4' energy: -25.593
flat angles P-C4'-P energy: -16.222
tors. eta vs tors. theta energy: -15.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -265.230131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.230131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.230131 (E_RNA)
where:
Base-Base interactions energy: -170.364
where: short stacking energy: -86.032
Base-Backbone interact. energy: -0.014
local terms energy: -94.852359
where:
bonds (distance) C4'-P energy: -16.895
bonds (distance) P-C4' energy: -21.666
flat angles C4'-P-C4' energy: -24.570
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -21.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -253.430131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.430131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.430131 (E_RNA)
where:
Base-Base interactions energy: -158.993
where: short stacking energy: -68.868
Base-Backbone interact. energy: -0.111
local terms energy: -94.326642
where:
bonds (distance) C4'-P energy: -18.695
bonds (distance) P-C4' energy: -20.943
flat angles C4'-P-C4' energy: -22.958
flat angles P-C4'-P energy: -18.545
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: 6
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -264.674340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.674340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.674340 (E_RNA)
where:
Base-Base interactions energy: -171.642
where: short stacking energy: -94.453
Base-Backbone interact. energy: -0.582
local terms energy: -92.451040
where:
bonds (distance) C4'-P energy: -6.282
bonds (distance) P-C4' energy: -15.816
flat angles C4'-P-C4' energy: -25.526
flat angles P-C4'-P energy: -16.065
tors. eta vs tors. theta energy: -28.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -239.804725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.804725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.804725 (E_RNA)
where:
Base-Base interactions energy: -148.887
where: short stacking energy: -74.752
Base-Backbone interact. energy: -0.155
local terms energy: -90.762625
where:
bonds (distance) C4'-P energy: -24.826
bonds (distance) P-C4' energy: -17.902
flat angles C4'-P-C4' energy: -20.703
flat angles P-C4'-P energy: -11.077
tors. eta vs tors. theta energy: -16.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -196.179237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.179237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.179237 (E_RNA)
where:
Base-Base interactions energy: -127.667
where: short stacking energy: -53.222
Base-Backbone interact. energy: -0.462
local terms energy: -68.049569
where:
bonds (distance) C4'-P energy: -17.449
bonds (distance) P-C4' energy: -4.860
flat angles C4'-P-C4' energy: -22.675
flat angles P-C4'-P energy: -15.016
tors. eta vs tors. theta energy: -8.050
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: 5
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -370.758895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.758895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.758895 (E_RNA)
where:
Base-Base interactions energy: -252.060
where: short stacking energy: -114.802
Base-Backbone interact. energy: -0.016
local terms energy: -118.683331
where:
bonds (distance) C4'-P energy: -24.765
bonds (distance) P-C4' energy: -24.868
flat angles C4'-P-C4' energy: -24.230
flat angles P-C4'-P energy: -12.463
tors. eta vs tors. theta energy: -32.358
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: 2, replica: 7
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -351.500807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.500807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.500807 (E_RNA)
where:
Base-Base interactions energy: -238.883
where: short stacking energy: -91.891
Base-Backbone interact. energy: -0.929
local terms energy: -111.688920
where:
bonds (distance) C4'-P energy: -22.826
bonds (distance) P-C4' energy: -25.492
flat angles C4'-P-C4' energy: -23.725
flat angles P-C4'-P energy: -17.274
tors. eta vs tors. theta energy: -22.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -273.662222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.662222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.662222 (E_RNA)
where:
Base-Base interactions energy: -174.088
where: short stacking energy: -95.505
Base-Backbone interact. energy: -0.115
local terms energy: -99.459890
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -25.317
flat angles C4'-P-C4' energy: -19.387
flat angles P-C4'-P energy: -15.478
tors. eta vs tors. theta energy: -23.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -317.135176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.135176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.135176 (E_RNA)
where:
Base-Base interactions energy: -216.422
where: short stacking energy: -93.946
Base-Backbone interact. energy: -0.039
local terms energy: -100.673996
where:
bonds (distance) C4'-P energy: -17.852
bonds (distance) P-C4' energy: -22.947
flat angles C4'-P-C4' energy: -19.096
flat angles P-C4'-P energy: -17.789
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: 5, replica: 1
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -273.365806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.365806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.365806 (E_RNA)
where:
Base-Base interactions energy: -172.366
where: short stacking energy: -77.475
Base-Backbone interact. energy: -0.923
local terms energy: -100.076377
where:
bonds (distance) C4'-P energy: -23.005
bonds (distance) P-C4' energy: -24.751
flat angles C4'-P-C4' energy: -23.163
flat angles P-C4'-P energy: -13.060
tors. eta vs tors. theta energy: -16.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -280.908186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.908186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.908186 (E_RNA)
where:
Base-Base interactions energy: -178.937
where: short stacking energy: -86.842
Base-Backbone interact. energy: -0.276
local terms energy: -101.694640
where:
bonds (distance) C4'-P energy: -24.118
bonds (distance) P-C4' energy: -24.874
flat angles C4'-P-C4' energy: -20.162
flat angles P-C4'-P energy: -11.639
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: 7, replica: 6
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -250.977055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.977055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.977055 (E_RNA)
where:
Base-Base interactions energy: -158.054
where: short stacking energy: -67.599
Base-Backbone interact. energy: -0.109
local terms energy: -92.813916
where:
bonds (distance) C4'-P energy: -21.478
bonds (distance) P-C4' energy: -22.624
flat angles C4'-P-C4' energy: -19.817
flat angles P-C4'-P energy: -15.150
tors. eta vs tors. theta energy: -13.746
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: 3
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -232.824428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.824428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.824428 (E_RNA)
where:
Base-Base interactions energy: -146.665
where: short stacking energy: -71.725
Base-Backbone interact. energy: -0.156
local terms energy: -86.003626
where:
bonds (distance) C4'-P energy: -14.412
bonds (distance) P-C4' energy: -20.936
flat angles C4'-P-C4' energy: -20.992
flat angles P-C4'-P energy: -13.770
tors. eta vs tors. theta energy: -15.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -201.720253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.720253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.720253 (E_RNA)
where:
Base-Base interactions energy: -132.299
where: short stacking energy: -55.401
Base-Backbone interact. energy: -0.240
local terms energy: -69.181196
where:
bonds (distance) C4'-P energy: -13.653
bonds (distance) P-C4' energy: -25.203
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -10.823
tors. eta vs tors. theta energy: -5.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -168.336323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.336323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.336323 (E_RNA)
where:
Base-Base interactions energy: -96.090
where: short stacking energy: -46.984
Base-Backbone interact. energy: -0.902
local terms energy: -71.344248
where:
bonds (distance) C4'-P energy: -19.018
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -16.730
flat angles P-C4'-P energy: -16.492
tors. eta vs tors. theta energy: -1.783
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: 1, replica: 5
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -364.944013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.944013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.944013 (E_RNA)
where:
Base-Base interactions energy: -254.775
where: short stacking energy: -112.680
Base-Backbone interact. energy: -0.191
local terms energy: -109.978669
where:
bonds (distance) C4'-P energy: -22.826
bonds (distance) P-C4' energy: -22.142
flat angles C4'-P-C4' energy: -21.862
flat angles P-C4'-P energy: -12.976
tors. eta vs tors. theta energy: -30.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -316.356466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.356466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.356466 (E_RNA)
where:
Base-Base interactions energy: -199.283
where: short stacking energy: -102.977
Base-Backbone interact. energy: -0.629
local terms energy: -116.444413
where:
bonds (distance) C4'-P energy: -18.848
bonds (distance) P-C4' energy: -25.741
flat angles C4'-P-C4' energy: -21.435
flat angles P-C4'-P energy: -21.515
tors. eta vs tors. theta energy: -28.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -362.816068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.816068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.816068 (E_RNA)
where:
Base-Base interactions energy: -263.252
where: short stacking energy: -96.187
Base-Backbone interact. energy: -0.687
local terms energy: -98.877367
where:
bonds (distance) C4'-P energy: -21.542
bonds (distance) P-C4' energy: -16.087
flat angles C4'-P-C4' energy: -21.422
flat angles P-C4'-P energy: -18.729
tors. eta vs tors. theta energy: -21.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -266.873262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.873262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.873262 (E_RNA)
where:
Base-Base interactions energy: -163.193
where: short stacking energy: -75.824
Base-Backbone interact. energy: 1.478
local terms energy: -105.158153
where:
bonds (distance) C4'-P energy: -21.407
bonds (distance) P-C4' energy: -25.985
flat angles C4'-P-C4' energy: -24.472
flat angles P-C4'-P energy: -14.341
tors. eta vs tors. theta energy: -18.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -276.078326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.078326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.078326 (E_RNA)
where:
Base-Base interactions energy: -182.773
where: short stacking energy: -80.776
Base-Backbone interact. energy: -0.209
local terms energy: -93.095941
where:
bonds (distance) C4'-P energy: -24.080
bonds (distance) P-C4' energy: -13.704
flat angles C4'-P-C4' energy: -21.950
flat angles P-C4'-P energy: -14.515
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: 6, replica: 8
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -269.732967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.732967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.732967 (E_RNA)
where:
Base-Base interactions energy: -173.559
where: short stacking energy: -78.805
Base-Backbone interact. energy: -0.114
local terms energy: -96.059804
where:
bonds (distance) C4'-P energy: -20.286
bonds (distance) P-C4' energy: -23.121
flat angles C4'-P-C4' energy: -19.812
flat angles P-C4'-P energy: -15.164
tors. eta vs tors. theta energy: -17.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -246.715363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.715363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.715363 (E_RNA)
where:
Base-Base interactions energy: -159.671
where: short stacking energy: -62.156
Base-Backbone interact. energy: -1.205
local terms energy: -85.838883
where:
bonds (distance) C4'-P energy: -22.975
bonds (distance) P-C4' energy: -22.688
flat angles C4'-P-C4' energy: -10.455
flat angles P-C4'-P energy: -18.697
tors. eta vs tors. theta energy: -11.023
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: 3
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -247.512573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.512573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.512573 (E_RNA)
where:
Base-Base interactions energy: -165.223
where: short stacking energy: -63.714
Base-Backbone interact. energy: -1.506
local terms energy: -80.783732
where:
bonds (distance) C4'-P energy: -20.740
bonds (distance) P-C4' energy: -17.830
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -14.850
tors. eta vs tors. theta energy: -11.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -204.969608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.969608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.969608 (E_RNA)
where:
Base-Base interactions energy: -126.117
where: short stacking energy: -69.896
Base-Backbone interact. energy: -0.252
local terms energy: -78.600443
where:
bonds (distance) C4'-P energy: -21.792
bonds (distance) P-C4' energy: -11.439
flat angles C4'-P-C4' energy: -21.572
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: -12.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -164.713653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.713653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.713653 (E_RNA)
where:
Base-Base interactions energy: -89.186
where: short stacking energy: -43.861
Base-Backbone interact. energy: -0.065
local terms energy: -75.462444
where:
bonds (distance) C4'-P energy: -23.735
bonds (distance) P-C4' energy: -22.193
flat angles C4'-P-C4' energy: -17.592
flat angles P-C4'-P energy: -10.384
tors. eta vs tors. theta energy: -1.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -366.520178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.520178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.520178 (E_RNA)
where:
Base-Base interactions energy: -249.830
where: short stacking energy: -105.253
Base-Backbone interact. energy: -0.041
local terms energy: -116.648595
where:
bonds (distance) C4'-P energy: -22.288
bonds (distance) P-C4' energy: -23.992
flat angles C4'-P-C4' energy: -24.543
flat angles P-C4'-P energy: -15.277
tors. eta vs tors. theta energy: -30.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -314.668936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.668936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.668936 (E_RNA)
where:
Base-Base interactions energy: -206.038
where: short stacking energy: -92.329
Base-Backbone interact. energy: -1.302
local terms energy: -107.329230
where:
bonds (distance) C4'-P energy: -20.836
bonds (distance) P-C4' energy: -21.589
flat angles C4'-P-C4' energy: -20.035
flat angles P-C4'-P energy: -18.541
tors. eta vs tors. theta energy: -26.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -354.750502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.750502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.750502 (E_RNA)
where:
Base-Base interactions energy: -250.580
where: short stacking energy: -87.473
Base-Backbone interact. energy: -1.144
local terms energy: -103.026057
where:
bonds (distance) C4'-P energy: -21.076
bonds (distance) P-C4' energy: -25.987
flat angles C4'-P-C4' energy: -17.812
flat angles P-C4'-P energy: -12.101
tors. eta vs tors. theta energy: -26.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -280.370850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.370850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.370850 (E_RNA)
where:
Base-Base interactions energy: -184.882
where: short stacking energy: -89.978
Base-Backbone interact. energy: -1.485
local terms energy: -94.003988
where:
bonds (distance) C4'-P energy: -18.844
bonds (distance) P-C4' energy: -18.054
flat angles C4'-P-C4' energy: -23.326
flat angles P-C4'-P energy: -13.545
tors. eta vs tors. theta energy: -20.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -264.881048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.881048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.881048 (E_RNA)
where:
Base-Base interactions energy: -169.615
where: short stacking energy: -73.618
Base-Backbone interact. energy: 1.007
local terms energy: -96.273597
where:
bonds (distance) C4'-P energy: -16.796
bonds (distance) P-C4' energy: -23.089
flat angles C4'-P-C4' energy: -19.758
flat angles P-C4'-P energy: -12.822
tors. eta vs tors. theta energy: -23.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -281.813557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.813557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.813557 (E_RNA)
where:
Base-Base interactions energy: -180.991
where: short stacking energy: -81.513
Base-Backbone interact. energy: 0.149
local terms energy: -100.972408
where:
bonds (distance) C4'-P energy: -23.170
bonds (distance) P-C4' energy: -21.171
flat angles C4'-P-C4' energy: -19.108
flat angles P-C4'-P energy: -14.950
tors. eta vs tors. theta energy: -22.573
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: 3
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -255.161644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.161644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.161644 (E_RNA)
where:
Base-Base interactions energy: -161.280
where: short stacking energy: -63.282
Base-Backbone interact. energy: -0.333
local terms energy: -93.548612
where:
bonds (distance) C4'-P energy: -18.952
bonds (distance) P-C4' energy: -23.863
flat angles C4'-P-C4' energy: -24.973
flat angles P-C4'-P energy: -10.774
tors. eta vs tors. theta energy: -14.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -250.301316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.301316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.301316 (E_RNA)
where:
Base-Base interactions energy: -167.645
where: short stacking energy: -51.354
Base-Backbone interact. energy: -1.536
local terms energy: -81.119557
where:
bonds (distance) C4'-P energy: -17.777
bonds (distance) P-C4' energy: -18.541
flat angles C4'-P-C4' energy: -23.025
flat angles P-C4'-P energy: -12.451
tors. eta vs tors. theta energy: -9.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -207.853166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.853166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.853166 (E_RNA)
where:
Base-Base interactions energy: -133.311
where: short stacking energy: -55.553
Base-Backbone interact. energy: -0.228
local terms energy: -74.314315
where:
bonds (distance) C4'-P energy: -15.779
bonds (distance) P-C4' energy: -17.117
flat angles C4'-P-C4' energy: -13.860
flat angles P-C4'-P energy: -14.908
tors. eta vs tors. theta energy: -12.651
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: 96
Temperature: 1.350000
Total energy: -179.598954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.598954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.598954 (E_RNA)
where:
Base-Base interactions energy: -116.250
where: short stacking energy: -54.557
Base-Backbone interact. energy: 0.829
local terms energy: -64.177834
where:
bonds (distance) C4'-P energy: -18.272
bonds (distance) P-C4' energy: -16.305
flat angles C4'-P-C4' energy: -15.482
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -3.041
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: 5
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -373.565060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.565060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.565060 (E_RNA)
where:
Base-Base interactions energy: -256.943
where: short stacking energy: -114.803
Base-Backbone interact. energy: -0.010
local terms energy: -116.611950
where:
bonds (distance) C4'-P energy: -17.448
bonds (distance) P-C4' energy: -19.604
flat angles C4'-P-C4' energy: -26.077
flat angles P-C4'-P energy: -19.129
tors. eta vs tors. theta energy: -34.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -360.285943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.285943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.285943 (E_RNA)
where:
Base-Base interactions energy: -255.018
where: short stacking energy: -99.594
Base-Backbone interact. energy: 0.118
local terms energy: -105.386124
where:
bonds (distance) C4'-P energy: -20.028
bonds (distance) P-C4' energy: -25.369
flat angles C4'-P-C4' energy: -18.286
flat angles P-C4'-P energy: -14.617
tors. eta vs tors. theta energy: -27.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -306.224820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.224820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.224820 (E_RNA)
where:
Base-Base interactions energy: -208.405
where: short stacking energy: -93.381
Base-Backbone interact. energy: -0.133
local terms energy: -97.686929
where:
bonds (distance) C4'-P energy: -19.124
bonds (distance) P-C4' energy: -22.942
flat angles C4'-P-C4' energy: -21.129
flat angles P-C4'-P energy: -13.088
tors. eta vs tors. theta energy: -21.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -274.300291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.300291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.300291 (E_RNA)
where:
Base-Base interactions energy: -165.821
where: short stacking energy: -82.824
Base-Backbone interact. energy: -0.188
local terms energy: -108.290693
where:
bonds (distance) C4'-P energy: -26.822
bonds (distance) P-C4' energy: -22.626
flat angles C4'-P-C4' energy: -25.017
flat angles P-C4'-P energy: -16.259
tors. eta vs tors. theta energy: -17.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -283.587912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.587912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.587912 (E_RNA)
where:
Base-Base interactions energy: -181.985
where: short stacking energy: -87.849
Base-Backbone interact. energy: -0.297
local terms energy: -101.305141
where:
bonds (distance) C4'-P energy: -22.753
bonds (distance) P-C4' energy: -18.053
flat angles C4'-P-C4' energy: -25.390
flat angles P-C4'-P energy: -13.723
tors. eta vs tors. theta energy: -21.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -271.283874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.283874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.283874 (E_RNA)
where:
Base-Base interactions energy: -174.402
where: short stacking energy: -79.853
Base-Backbone interact. energy: -0.101
local terms energy: -96.780470
where:
bonds (distance) C4'-P energy: -21.804
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -23.710
flat angles P-C4'-P energy: -11.062
tors. eta vs tors. theta energy: -22.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -255.893210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.893210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.893210 (E_RNA)
where:
Base-Base interactions energy: -170.828
where: short stacking energy: -74.255
Base-Backbone interact. energy: -0.145
local terms energy: -84.919494
where:
bonds (distance) C4'-P energy: -20.041
bonds (distance) P-C4' energy: -19.939
flat angles C4'-P-C4' energy: -17.175
flat angles P-C4'-P energy: -10.443
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: 8, replica: 4
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -227.758200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.758200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.758200 (E_RNA)
where:
Base-Base interactions energy: -141.191
where: short stacking energy: -53.351
Base-Backbone interact. energy: -0.102
local terms energy: -86.465084
where:
bonds (distance) C4'-P energy: -22.356
bonds (distance) P-C4' energy: -22.463
flat angles C4'-P-C4' energy: -19.352
flat angles P-C4'-P energy: -14.762
tors. eta vs tors. theta energy: -7.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -231.714702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.714702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.714702 (E_RNA)
where:
Base-Base interactions energy: -148.795
where: short stacking energy: -66.958
Base-Backbone interact. energy: -0.528
local terms energy: -82.392170
where:
bonds (distance) C4'-P energy: -19.051
bonds (distance) P-C4' energy: -20.322
flat angles C4'-P-C4' energy: -18.150
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -14.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -188.920251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.920251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.920251 (E_RNA)
where:
Base-Base interactions energy: -114.551
where: short stacking energy: -55.236
Base-Backbone interact. energy: -0.030
local terms energy: -74.338482
where:
bonds (distance) C4'-P energy: -22.313
bonds (distance) P-C4' energy: -18.033
flat angles C4'-P-C4' energy: -19.962
flat angles P-C4'-P energy: -12.442
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: 1, replica: 7
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -366.337324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.337324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.337324 (E_RNA)
where:
Base-Base interactions energy: -253.385
where: short stacking energy: -91.530
Base-Backbone interact. energy: -0.589
local terms energy: -112.362786
where:
bonds (distance) C4'-P energy: -23.042
bonds (distance) P-C4' energy: -26.110
flat angles C4'-P-C4' energy: -20.615
flat angles P-C4'-P energy: -17.002
tors. eta vs tors. theta energy: -25.594
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: 5
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -370.428187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.428187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.428187 (E_RNA)
where:
Base-Base interactions energy: -247.249
where: short stacking energy: -114.801
Base-Backbone interact. energy: 2.195
local terms energy: -125.373924
where:
bonds (distance) C4'-P energy: -24.048
bonds (distance) P-C4' energy: -22.219
flat angles C4'-P-C4' energy: -25.688
flat angles P-C4'-P energy: -20.568
tors. eta vs tors. theta energy: -32.850
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: 3, replica: 8
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -288.376843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.376843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.376843 (E_RNA)
where:
Base-Base interactions energy: -180.619
where: short stacking energy: -89.833
Base-Backbone interact. energy: -0.003
local terms energy: -107.754719
where:
bonds (distance) C4'-P energy: -23.059
bonds (distance) P-C4' energy: -23.329
flat angles C4'-P-C4' energy: -19.758
flat angles P-C4'-P energy: -16.015
tors. eta vs tors. theta energy: -25.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -299.245938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.245938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.245938 (E_RNA)
where:
Base-Base interactions energy: -199.503
where: short stacking energy: -89.952
Base-Backbone interact. energy: 0.458
local terms energy: -100.200843
where:
bonds (distance) C4'-P energy: -24.400
bonds (distance) P-C4' energy: -20.823
flat angles C4'-P-C4' energy: -25.148
flat angles P-C4'-P energy: -8.387
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: 5, replica: 1
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -283.135821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.135821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.135821 (E_RNA)
where:
Base-Base interactions energy: -174.392
where: short stacking energy: -90.947
Base-Backbone interact. energy: 0.831
local terms energy: -109.574170
where:
bonds (distance) C4'-P energy: -18.964
bonds (distance) P-C4' energy: -25.081
flat angles C4'-P-C4' energy: -22.984
flat angles P-C4'-P energy: -18.286
tors. eta vs tors. theta energy: -24.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -262.191536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.191536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.191536 (E_RNA)
where:
Base-Base interactions energy: -172.633
where: short stacking energy: -78.234
Base-Backbone interact. energy: -0.151
local terms energy: -89.407895
where:
bonds (distance) C4'-P energy: -19.395
bonds (distance) P-C4' energy: -23.654
flat angles C4'-P-C4' energy: -20.131
flat angles P-C4'-P energy: -9.290
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: 7, replica: 4
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -237.851360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.851360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.851360 (E_RNA)
where:
Base-Base interactions energy: -153.920
where: short stacking energy: -61.377
Base-Backbone interact. energy: -0.536
local terms energy: -83.395314
where:
bonds (distance) C4'-P energy: -21.099
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -22.821
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: -11.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -250.574448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.574448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.574448 (E_RNA)
where:
Base-Base interactions energy: -156.646
where: short stacking energy: -74.270
Base-Backbone interact. energy: 0.298
local terms energy: -94.226407
where:
bonds (distance) C4'-P energy: -19.910
bonds (distance) P-C4' energy: -23.307
flat angles C4'-P-C4' energy: -15.610
flat angles P-C4'-P energy: -17.186
tors. eta vs tors. theta energy: -18.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -203.474307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.474307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.474307 (E_RNA)
where:
Base-Base interactions energy: -133.560
where: short stacking energy: -57.131
Base-Backbone interact. energy: 0.420
local terms energy: -70.334012
where:
bonds (distance) C4'-P energy: -18.199
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -18.441
flat angles P-C4'-P energy: -8.402
tors. eta vs tors. theta energy: -6.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -208.626328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.626328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.626328 (E_RNA)
where:
Base-Base interactions energy: -136.396
where: short stacking energy: -59.412
Base-Backbone interact. energy: -0.370
local terms energy: -71.860514
where:
bonds (distance) C4'-P energy: -18.244
bonds (distance) P-C4' energy: -15.143
flat angles C4'-P-C4' energy: -17.525
flat angles P-C4'-P energy: -12.307
tors. eta vs tors. theta energy: -8.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -367.631049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.631049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.631049 (E_RNA)
where:
Base-Base interactions energy: -253.981
where: short stacking energy: -88.305
Base-Backbone interact. energy: -1.401
local terms energy: -112.248715
where:
bonds (distance) C4'-P energy: -23.693
bonds (distance) P-C4' energy: -20.040
flat angles C4'-P-C4' energy: -25.110
flat angles P-C4'-P energy: -18.904
tors. eta vs tors. theta energy: -24.502
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: 5
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -367.844315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.844315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.844315 (E_RNA)
where:
Base-Base interactions energy: -239.700
where: short stacking energy: -104.915
Base-Backbone interact. energy: -0.045
local terms energy: -128.098960
where:
bonds (distance) C4'-P energy: -23.699
bonds (distance) P-C4' energy: -27.284
flat angles C4'-P-C4' energy: -23.882
flat angles P-C4'-P energy: -21.654
tors. eta vs tors. theta energy: -31.579
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: 8
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -311.244876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.244876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.244876 (E_RNA)
where:
Base-Base interactions energy: -199.763
where: short stacking energy: -91.636
Base-Backbone interact. energy: -0.026
local terms energy: -111.455674
where:
bonds (distance) C4'-P energy: -22.454
bonds (distance) P-C4' energy: -21.769
flat angles C4'-P-C4' energy: -22.614
flat angles P-C4'-P energy: -15.508
tors. eta vs tors. theta energy: -29.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -289.702129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.702129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.702129 (E_RNA)
where:
Base-Base interactions energy: -191.888
where: short stacking energy: -83.540
Base-Backbone interact. energy: 1.257
local terms energy: -99.071236
where:
bonds (distance) C4'-P energy: -20.757
bonds (distance) P-C4' energy: -20.845
flat angles C4'-P-C4' energy: -22.780
flat angles P-C4'-P energy: -13.885
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: 5, replica: 9
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -259.759686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.759686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.759686 (E_RNA)
where:
Base-Base interactions energy: -164.731
where: short stacking energy: -77.789
Base-Backbone interact. energy: -0.112
local terms energy: -94.917355
where:
bonds (distance) C4'-P energy: -21.211
bonds (distance) P-C4' energy: -20.990
flat angles C4'-P-C4' energy: -21.618
flat angles P-C4'-P energy: -12.259
tors. eta vs tors. theta energy: -18.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -256.079436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.079436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.079436 (E_RNA)
where:
Base-Base interactions energy: -168.299
where: short stacking energy: -76.600
Base-Backbone interact. energy: -0.291
local terms energy: -87.489897
where:
bonds (distance) C4'-P energy: -20.408
bonds (distance) P-C4' energy: -20.243
flat angles C4'-P-C4' energy: -18.001
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: -19.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -234.682151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.682151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.682151 (E_RNA)
where:
Base-Base interactions energy: -140.484
where: short stacking energy: -81.316
Base-Backbone interact. energy: -0.707
local terms energy: -93.490387
where:
bonds (distance) C4'-P energy: -20.462
bonds (distance) P-C4' energy: -17.787
flat angles C4'-P-C4' energy: -19.402
flat angles P-C4'-P energy: -13.457
tors. eta vs tors. theta energy: -22.382
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: 2
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -251.182616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.182616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.182616 (E_RNA)
where:
Base-Base interactions energy: -178.865
where: short stacking energy: -70.071
Base-Backbone interact. energy: -0.413
local terms energy: -71.904790
where:
bonds (distance) C4'-P energy: -20.637
bonds (distance) P-C4' energy: -19.780
flat angles C4'-P-C4' energy: -15.918
flat angles P-C4'-P energy: -4.768
tors. eta vs tors. theta energy: -10.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -199.079938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.079938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.079938 (E_RNA)
where:
Base-Base interactions energy: -118.639
where: short stacking energy: -60.823
Base-Backbone interact. energy: -0.431
local terms energy: -80.009630
where:
bonds (distance) C4'-P energy: -16.796
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -21.945
flat angles P-C4'-P energy: -12.440
tors. eta vs tors. theta energy: -11.471
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: 10, replica: 6
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -180.874387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.874387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.874387 (E_RNA)
where:
Base-Base interactions energy: -117.791
where: short stacking energy: -60.182
Base-Backbone interact. energy: -1.057
local terms energy: -62.027161
where:
bonds (distance) C4'-P energy: -9.558
bonds (distance) P-C4' energy: -20.621
flat angles C4'-P-C4' energy: -9.343
flat angles P-C4'-P energy: -11.372
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: 1, replica: 7
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -376.529528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.529528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.529528 (E_RNA)
where:
Base-Base interactions energy: -267.028
where: short stacking energy: -104.140
Base-Backbone interact. energy: -0.342
local terms energy: -109.159760
where:
bonds (distance) C4'-P energy: -25.841
bonds (distance) P-C4' energy: -20.645
flat angles C4'-P-C4' energy: -23.495
flat angles P-C4'-P energy: -13.306
tors. eta vs tors. theta energy: -25.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -356.211099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.211099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.211099 (E_RNA)
where:
Base-Base interactions energy: -244.168
where: short stacking energy: -106.048
Base-Backbone interact. energy: -0.986
local terms energy: -111.056947
where:
bonds (distance) C4'-P energy: -20.746
bonds (distance) P-C4' energy: -19.763
flat angles C4'-P-C4' energy: -22.591
flat angles P-C4'-P energy: -18.764
tors. eta vs tors. theta energy: -29.193
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: 1
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -301.398449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.398449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.398449 (E_RNA)
where:
Base-Base interactions energy: -194.704
where: short stacking energy: -84.437
Base-Backbone interact. energy: -0.182
local terms energy: -106.513246
where:
bonds (distance) C4'-P energy: -18.952
bonds (distance) P-C4' energy: -26.452
flat angles C4'-P-C4' energy: -21.643
flat angles P-C4'-P energy: -16.809
tors. eta vs tors. theta energy: -22.657
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: 4, replica: 8
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -293.600820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.600820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.600820 (E_RNA)
where:
Base-Base interactions energy: -185.012
where: short stacking energy: -89.404
Base-Backbone interact. energy: -0.197
local terms energy: -108.391924
where:
bonds (distance) C4'-P energy: -23.472
bonds (distance) P-C4' energy: -26.200
flat angles C4'-P-C4' energy: -21.485
flat angles P-C4'-P energy: -12.906
tors. eta vs tors. theta energy: -24.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -279.046634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.046634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.046634 (E_RNA)
where:
Base-Base interactions energy: -176.701
where: short stacking energy: -83.706
Base-Backbone interact. energy: -0.731
local terms energy: -101.615396
where:
bonds (distance) C4'-P energy: -23.504
bonds (distance) P-C4' energy: -24.529
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -13.130
tors. eta vs tors. theta energy: -24.728
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: 3
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -270.052276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.052276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.052276 (E_RNA)
where:
Base-Base interactions energy: -172.202
where: short stacking energy: -73.644
Base-Backbone interact. energy: -0.655
local terms energy: -97.194876
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -23.612
flat angles C4'-P-C4' energy: -21.920
flat angles P-C4'-P energy: -16.998
tors. eta vs tors. theta energy: -19.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -257.762404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.762404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.762404 (E_RNA)
where:
Base-Base interactions energy: -167.879
where: short stacking energy: -73.481
Base-Backbone interact. energy: -0.415
local terms energy: -89.468463
where:
bonds (distance) C4'-P energy: -22.214
bonds (distance) P-C4' energy: -22.733
flat angles C4'-P-C4' energy: -20.912
flat angles P-C4'-P energy: -5.632
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: 8, replica: 4
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -243.560154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.560154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.560154 (E_RNA)
where:
Base-Base interactions energy: -168.395
where: short stacking energy: -74.496
Base-Backbone interact. energy: 1.058
local terms energy: -76.223692
where:
bonds (distance) C4'-P energy: -18.612
bonds (distance) P-C4' energy: -19.459
flat angles C4'-P-C4' energy: -16.488
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -11.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -231.287863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.287863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.287863 (E_RNA)
where:
Base-Base interactions energy: -153.098
where: short stacking energy: -57.429
Base-Backbone interact. energy: 1.980
local terms energy: -80.170442
where:
bonds (distance) C4'-P energy: -16.223
bonds (distance) P-C4' energy: -19.296
flat angles C4'-P-C4' energy: -19.485
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -15.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -204.837053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.837053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.837053 (E_RNA)
where:
Base-Base interactions energy: -127.302
where: short stacking energy: -59.310
Base-Backbone interact. energy: -0.094
local terms energy: -77.441423
where:
bonds (distance) C4'-P energy: -11.969
bonds (distance) P-C4' energy: -22.621
flat angles C4'-P-C4' energy: -18.708
flat angles P-C4'-P energy: -13.812
tors. eta vs tors. theta energy: -10.332
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: 7
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -364.210846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.210846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.210846 (E_RNA)
where:
Base-Base interactions energy: -254.399
where: short stacking energy: -91.659
Base-Backbone interact. energy: 1.853
local terms energy: -111.664463
where:
bonds (distance) C4'-P energy: -21.712
bonds (distance) P-C4' energy: -27.008
flat angles C4'-P-C4' energy: -24.359
flat angles P-C4'-P energy: -15.718
tors. eta vs tors. theta energy: -22.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -363.446931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.446931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.446931 (E_RNA)
where:
Base-Base interactions energy: -246.644
where: short stacking energy: -117.147
Base-Backbone interact. energy: -0.243
local terms energy: -116.559885
where:
bonds (distance) C4'-P energy: -19.818
bonds (distance) P-C4' energy: -18.616
flat angles C4'-P-C4' energy: -23.282
flat angles P-C4'-P energy: -18.598
tors. eta vs tors. theta energy: -36.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -302.926961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.926961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.926961 (E_RNA)
where:
Base-Base interactions energy: -195.198
where: short stacking energy: -92.083
Base-Backbone interact. energy: -0.142
local terms energy: -107.586720
where:
bonds (distance) C4'-P energy: -24.233
bonds (distance) P-C4' energy: -24.879
flat angles C4'-P-C4' energy: -19.817
flat angles P-C4'-P energy: -15.343
tors. eta vs tors. theta energy: -23.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -299.402927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.402927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.402927 (E_RNA)
where:
Base-Base interactions energy: -192.709
where: short stacking energy: -91.980
Base-Backbone interact. energy: -0.647
local terms energy: -106.046784
where:
bonds (distance) C4'-P energy: -24.966
bonds (distance) P-C4' energy: -21.851
flat angles C4'-P-C4' energy: -22.151
flat angles P-C4'-P energy: -14.332
tors. eta vs tors. theta energy: -22.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -284.163913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.163913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.163913 (E_RNA)
where:
Base-Base interactions energy: -187.020
where: short stacking energy: -85.152
Base-Backbone interact. energy: -0.712
local terms energy: -96.432304
where:
bonds (distance) C4'-P energy: -19.291
bonds (distance) P-C4' energy: -19.526
flat angles C4'-P-C4' energy: -19.255
flat angles P-C4'-P energy: -15.932
tors. eta vs tors. theta energy: -22.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -275.629198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.629198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.629198 (E_RNA)
where:
Base-Base interactions energy: -164.601
where: short stacking energy: -77.944
Base-Backbone interact. energy: -0.342
local terms energy: -110.686255
where:
bonds (distance) C4'-P energy: -18.806
bonds (distance) P-C4' energy: -24.458
flat angles C4'-P-C4' energy: -23.999
flat angles P-C4'-P energy: -15.871
tors. eta vs tors. theta energy: -27.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -272.450600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.450600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.450600 (E_RNA)
where:
Base-Base interactions energy: -168.378
where: short stacking energy: -85.095
Base-Backbone interact. energy: -0.949
local terms energy: -103.124083
where:
bonds (distance) C4'-P energy: -21.646
bonds (distance) P-C4' energy: -22.133
flat angles C4'-P-C4' energy: -20.690
flat angles P-C4'-P energy: -14.380
tors. eta vs tors. theta energy: -24.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -246.917263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.917263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.917263 (E_RNA)
where:
Base-Base interactions energy: -161.036
where: short stacking energy: -59.248
Base-Backbone interact. energy: 2.600
local terms energy: -88.481545
where:
bonds (distance) C4'-P energy: -24.276
bonds (distance) P-C4' energy: -25.129
flat angles C4'-P-C4' energy: -18.537
flat angles P-C4'-P energy: -7.696
tors. eta vs tors. theta energy: -12.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -229.526295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.526295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.526295 (E_RNA)
where:
Base-Base interactions energy: -150.680
where: short stacking energy: -59.140
Base-Backbone interact. energy: -0.295
local terms energy: -78.551821
where:
bonds (distance) C4'-P energy: -19.522
bonds (distance) P-C4' energy: -12.298
flat angles C4'-P-C4' energy: -18.928
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: -16.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -185.093947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.093947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.093947 (E_RNA)
where:
Base-Base interactions energy: -111.877
where: short stacking energy: -43.648
Base-Backbone interact. energy: -0.357
local terms energy: -72.860058
where:
bonds (distance) C4'-P energy: -20.100
bonds (distance) P-C4' energy: -20.881
flat angles C4'-P-C4' energy: -21.134
flat angles P-C4'-P energy: -6.337
tors. eta vs tors. theta energy: -4.409
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: 5
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -372.283556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.283556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.283556 (E_RNA)
where:
Base-Base interactions energy: -251.727
where: short stacking energy: -108.684
Base-Backbone interact. energy: -0.224
local terms energy: -120.332786
where:
bonds (distance) C4'-P energy: -27.471
bonds (distance) P-C4' energy: -18.155
flat angles C4'-P-C4' energy: -22.915
flat angles P-C4'-P energy: -15.801
tors. eta vs tors. theta energy: -35.990
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: 7
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -358.653886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.653886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.653886 (E_RNA)
where:
Base-Base interactions energy: -249.515
where: short stacking energy: -91.820
Base-Backbone interact. energy: 1.056
local terms energy: -110.195530
where:
bonds (distance) C4'-P energy: -22.182
bonds (distance) P-C4' energy: -23.565
flat angles C4'-P-C4' energy: -25.130
flat angles P-C4'-P energy: -12.392
tors. eta vs tors. theta energy: -26.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -287.570699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.570699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.570699 (E_RNA)
where:
Base-Base interactions energy: -179.499
where: short stacking energy: -80.790
Base-Backbone interact. energy: -0.139
local terms energy: -107.932430
where:
bonds (distance) C4'-P energy: -24.156
bonds (distance) P-C4' energy: -26.053
flat angles C4'-P-C4' energy: -21.873
flat angles P-C4'-P energy: -19.019
tors. eta vs tors. theta energy: -16.831
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: 4, replica: 8
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -283.505807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.505807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.505807 (E_RNA)
where:
Base-Base interactions energy: -186.837
where: short stacking energy: -95.248
Base-Backbone interact. energy: -0.282
local terms energy: -96.386936
where:
bonds (distance) C4'-P energy: -25.277
bonds (distance) P-C4' energy: -22.149
flat angles C4'-P-C4' energy: -16.263
flat angles P-C4'-P energy: -12.471
tors. eta vs tors. theta energy: -20.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -294.480950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.480950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.480950 (E_RNA)
where:
Base-Base interactions energy: -192.910
where: short stacking energy: -91.137
Base-Backbone interact. energy: -0.268
local terms energy: -101.302603
where:
bonds (distance) C4'-P energy: -21.042
bonds (distance) P-C4' energy: -21.979
flat angles C4'-P-C4' energy: -22.436
flat angles P-C4'-P energy: -14.628
tors. eta vs tors. theta energy: -21.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -274.371062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.371062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.371062 (E_RNA)
where:
Base-Base interactions energy: -179.398
where: short stacking energy: -80.484
Base-Backbone interact. energy: -0.319
local terms energy: -94.653864
where:
bonds (distance) C4'-P energy: -17.490
bonds (distance) P-C4' energy: -19.229
flat angles C4'-P-C4' energy: -22.883
flat angles P-C4'-P energy: -14.217
tors. eta vs tors. theta energy: -20.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -254.405060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.405060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.405060 (E_RNA)
where:
Base-Base interactions energy: -166.943
where: short stacking energy: -77.285
Base-Backbone interact. energy: -0.108
local terms energy: -87.354061
where:
bonds (distance) C4'-P energy: -25.046
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -18.004
flat angles P-C4'-P energy: -8.710
tors. eta vs tors. theta energy: -19.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -245.676997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.676997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.676997 (E_RNA)
where:
Base-Base interactions energy: -149.681
where: short stacking energy: -65.068
Base-Backbone interact. energy: -0.582
local terms energy: -95.413751
where:
bonds (distance) C4'-P energy: -20.426
bonds (distance) P-C4' energy: -25.485
flat angles C4'-P-C4' energy: -18.969
flat angles P-C4'-P energy: -14.833
tors. eta vs tors. theta energy: -15.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -194.571219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.571219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.571219 (E_RNA)
where:
Base-Base interactions energy: -115.457
where: short stacking energy: -60.951
Base-Backbone interact. energy: -0.036
local terms energy: -79.078375
where:
bonds (distance) C4'-P energy: -19.263
bonds (distance) P-C4' energy: -23.131
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -14.697
tors. eta vs tors. theta energy: -6.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -192.238341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.238341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.238341 (E_RNA)
where:
Base-Base interactions energy: -119.428
where: short stacking energy: -56.468
Base-Backbone interact. energy: -0.091
local terms energy: -72.719229
where:
bonds (distance) C4'-P energy: -16.717
bonds (distance) P-C4' energy: -23.723
flat angles C4'-P-C4' energy: -18.222
flat angles P-C4'-P energy: -8.507
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: 1, replica: 5
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -378.996682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.996682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.996682 (E_RNA)
where:
Base-Base interactions energy: -255.198
where: short stacking energy: -104.940
Base-Backbone interact. energy: -0.558
local terms energy: -123.240477
where:
bonds (distance) C4'-P energy: -24.138
bonds (distance) P-C4' energy: -23.828
flat angles C4'-P-C4' energy: -24.213
flat angles P-C4'-P energy: -15.924
tors. eta vs tors. theta energy: -35.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -368.542542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.542542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.542542 (E_RNA)
where:
Base-Base interactions energy: -263.345
where: short stacking energy: -102.138
Base-Backbone interact. energy: -0.937
local terms energy: -104.260263
where:
bonds (distance) C4'-P energy: -20.702
bonds (distance) P-C4' energy: -23.412
flat angles C4'-P-C4' energy: -18.141
flat angles P-C4'-P energy: -16.686
tors. eta vs tors. theta energy: -25.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -295.715596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.715596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.715596 (E_RNA)
where:
Base-Base interactions energy: -186.719
where: short stacking energy: -82.351
Base-Backbone interact. energy: -0.452
local terms energy: -108.545030
where:
bonds (distance) C4'-P energy: -21.920
bonds (distance) P-C4' energy: -20.775
flat angles C4'-P-C4' energy: -23.227
flat angles P-C4'-P energy: -19.721
tors. eta vs tors. theta energy: -22.902
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: 8
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -284.177864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.177864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.177864 (E_RNA)
where:
Base-Base interactions energy: -189.113
where: short stacking energy: -89.287
Base-Backbone interact. energy: -0.209
local terms energy: -94.855704
where:
bonds (distance) C4'-P energy: -17.672
bonds (distance) P-C4' energy: -21.331
flat angles C4'-P-C4' energy: -21.853
flat angles P-C4'-P energy: -13.114
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: 5, replica: 9
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -284.599193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.599193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.599193 (E_RNA)
where:
Base-Base interactions energy: -187.360
where: short stacking energy: -74.704
Base-Backbone interact. energy: -0.469
local terms energy: -96.769463
where:
bonds (distance) C4'-P energy: -17.177
bonds (distance) P-C4' energy: -19.166
flat angles C4'-P-C4' energy: -20.805
flat angles P-C4'-P energy: -15.888
tors. eta vs tors. theta energy: -23.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -268.709680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.709680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.709680 (E_RNA)
where:
Base-Base interactions energy: -168.824
where: short stacking energy: -84.645
Base-Backbone interact. energy: -0.284
local terms energy: -99.601994
where:
bonds (distance) C4'-P energy: -20.662
bonds (distance) P-C4' energy: -20.912
flat angles C4'-P-C4' energy: -20.158
flat angles P-C4'-P energy: -19.369
tors. eta vs tors. theta energy: -18.500
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: 2
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -267.498814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.498814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.498814 (E_RNA)
where:
Base-Base interactions energy: -180.033
where: short stacking energy: -93.840
Base-Backbone interact. energy: -0.703
local terms energy: -86.762882
where:
bonds (distance) C4'-P energy: -9.050
bonds (distance) P-C4' energy: -16.954
flat angles C4'-P-C4' energy: -23.033
flat angles P-C4'-P energy: -14.330
tors. eta vs tors. theta energy: -23.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -282.902073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.902073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.902073 (E_RNA)
where:
Base-Base interactions energy: -190.754
where: short stacking energy: -84.776
Base-Backbone interact. energy: -1.384
local terms energy: -90.764576
where:
bonds (distance) C4'-P energy: -12.989
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -23.978
flat angles P-C4'-P energy: -15.128
tors. eta vs tors. theta energy: -20.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -197.553450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.553450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.553450 (E_RNA)
where:
Base-Base interactions energy: -118.792
where: short stacking energy: -54.281
Base-Backbone interact. energy: -1.097
local terms energy: -77.663944
where:
bonds (distance) C4'-P energy: -18.565
bonds (distance) P-C4' energy: -19.319
flat angles C4'-P-C4' energy: -18.707
flat angles P-C4'-P energy: -12.066
tors. eta vs tors. theta energy: -9.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -212.274271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.274271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.274271 (E_RNA)
where:
Base-Base interactions energy: -135.323
where: short stacking energy: -64.188
Base-Backbone interact. energy: 0.156
local terms energy: -77.107914
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -22.223
flat angles C4'-P-C4' energy: -16.616
flat angles P-C4'-P energy: -16.131
tors. eta vs tors. theta energy: -8.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -365.384922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.384922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.384922 (E_RNA)
where:
Base-Base interactions energy: -246.989
where: short stacking energy: -103.926
Base-Backbone interact. energy: -0.045
local terms energy: -118.350801
where:
bonds (distance) C4'-P energy: -23.787
bonds (distance) P-C4' energy: -25.742
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -20.311
tors. eta vs tors. theta energy: -33.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -358.846957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.846957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.846957 (E_RNA)
where:
Base-Base interactions energy: -257.754
where: short stacking energy: -97.520
Base-Backbone interact. energy: -0.363
local terms energy: -100.729395
where:
bonds (distance) C4'-P energy: -20.460
bonds (distance) P-C4' energy: -19.185
flat angles C4'-P-C4' energy: -24.448
flat angles P-C4'-P energy: -13.538
tors. eta vs tors. theta energy: -23.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -288.867223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.867223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.867223 (E_RNA)
where:
Base-Base interactions energy: -179.030
where: short stacking energy: -85.494
Base-Backbone interact. energy: -0.025
local terms energy: -109.813100
where:
bonds (distance) C4'-P energy: -22.072
bonds (distance) P-C4' energy: -22.284
flat angles C4'-P-C4' energy: -24.818
flat angles P-C4'-P energy: -17.961
tors. eta vs tors. theta energy: -22.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -293.419518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.419518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.419518 (E_RNA)
where:
Base-Base interactions energy: -186.272
where: short stacking energy: -94.011
Base-Backbone interact. energy: -0.202
local terms energy: -106.945468
where:
bonds (distance) C4'-P energy: -25.125
bonds (distance) P-C4' energy: -17.737
flat angles C4'-P-C4' energy: -17.677
flat angles P-C4'-P energy: -16.457
tors. eta vs tors. theta energy: -29.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -270.022787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.022787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.022787 (E_RNA)
where:
Base-Base interactions energy: -169.494
where: short stacking energy: -72.375
Base-Backbone interact. energy: -0.050
local terms energy: -100.478401
where:
bonds (distance) C4'-P energy: -20.095
bonds (distance) P-C4' energy: -21.132
flat angles C4'-P-C4' energy: -25.863
flat angles P-C4'-P energy: -16.077
tors. eta vs tors. theta energy: -17.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -278.785383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.785383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.785383 (E_RNA)
where:
Base-Base interactions energy: -172.331
where: short stacking energy: -87.169
Base-Backbone interact. energy: -0.162
local terms energy: -106.292449
where:
bonds (distance) C4'-P energy: -22.591
bonds (distance) P-C4' energy: -23.948
flat angles C4'-P-C4' energy: -21.039
flat angles P-C4'-P energy: -17.076
tors. eta vs tors. theta energy: -21.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -271.371809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.371809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.371809 (E_RNA)
where:
Base-Base interactions energy: -170.219
where: short stacking energy: -76.061
Base-Backbone interact. energy: -0.540
local terms energy: -100.612827
where:
bonds (distance) C4'-P energy: -17.852
bonds (distance) P-C4' energy: -22.341
flat angles C4'-P-C4' energy: -21.547
flat angles P-C4'-P energy: -15.880
tors. eta vs tors. theta energy: -22.992
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: 2
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -248.506405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.506405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.506405 (E_RNA)
where:
Base-Base interactions energy: -159.873
where: short stacking energy: -73.064
Base-Backbone interact. energy: -0.304
local terms energy: -88.329488
where:
bonds (distance) C4'-P energy: -18.318
bonds (distance) P-C4' energy: -18.119
flat angles C4'-P-C4' energy: -20.573
flat angles P-C4'-P energy: -17.051
tors. eta vs tors. theta energy: -14.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -204.271685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.271685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.271685 (E_RNA)
where:
Base-Base interactions energy: -124.627
where: short stacking energy: -55.243
Base-Backbone interact. energy: 3.096
local terms energy: -82.740791
where:
bonds (distance) C4'-P energy: -19.578
bonds (distance) P-C4' energy: -21.204
flat angles C4'-P-C4' energy: -19.023
flat angles P-C4'-P energy: -15.174
tors. eta vs tors. theta energy: -7.762
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: 10
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -187.164302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.164302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.164302 (E_RNA)
where:
Base-Base interactions energy: -118.976
where: short stacking energy: -58.183
Base-Backbone interact. energy: 0.278
local terms energy: -68.466744
where:
bonds (distance) C4'-P energy: -19.921
bonds (distance) P-C4' energy: -10.972
flat angles C4'-P-C4' energy: -16.466
flat angles P-C4'-P energy: -14.021
tors. eta vs tors. theta energy: -7.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -375.884419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.884419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.884419 (E_RNA)
where:
Base-Base interactions energy: -256.871
where: short stacking energy: -114.324
Base-Backbone interact. energy: -0.482
local terms energy: -118.531243
where:
bonds (distance) C4'-P energy: -19.706
bonds (distance) P-C4' energy: -24.946
flat angles C4'-P-C4' energy: -23.950
flat angles P-C4'-P energy: -15.940
tors. eta vs tors. theta energy: -33.990
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: 7
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -359.817487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.817487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.817487 (E_RNA)
where:
Base-Base interactions energy: -242.276
where: short stacking energy: -103.906
Base-Backbone interact. energy: -0.372
local terms energy: -117.169158
where:
bonds (distance) C4'-P energy: -27.533
bonds (distance) P-C4' energy: -20.618
flat angles C4'-P-C4' energy: -21.280
flat angles P-C4'-P energy: -18.778
tors. eta vs tors. theta energy: -28.959
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: 8
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -300.282744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.282744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.282744 (E_RNA)
where:
Base-Base interactions energy: -183.631
where: short stacking energy: -86.442
Base-Backbone interact. energy: -0.808
local terms energy: -115.843616
where:
bonds (distance) C4'-P energy: -24.106
bonds (distance) P-C4' energy: -24.789
flat angles C4'-P-C4' energy: -24.919
flat angles P-C4'-P energy: -17.496
tors. eta vs tors. theta energy: -24.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -295.358521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.358521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.358521 (E_RNA)
where:
Base-Base interactions energy: -190.517
where: short stacking energy: -95.489
Base-Backbone interact. energy: -1.555
local terms energy: -103.287080
where:
bonds (distance) C4'-P energy: -15.479
bonds (distance) P-C4' energy: -26.265
flat angles C4'-P-C4' energy: -21.129
flat angles P-C4'-P energy: -12.793
tors. eta vs tors. theta energy: -27.621
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: 4
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -270.164429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.164429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.164429 (E_RNA)
where:
Base-Base interactions energy: -173.898
where: short stacking energy: -84.952
Base-Backbone interact. energy: 1.487
local terms energy: -97.752957
where:
bonds (distance) C4'-P energy: -17.701
bonds (distance) P-C4' energy: -22.652
flat angles C4'-P-C4' energy: -21.361
flat angles P-C4'-P energy: -13.628
tors. eta vs tors. theta energy: -22.411
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: 9
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -259.313933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.313933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.313933 (E_RNA)
where:
Base-Base interactions energy: -161.110
where: short stacking energy: -70.417
Base-Backbone interact. energy: -0.291
local terms energy: -97.912872
where:
bonds (distance) C4'-P energy: -19.262
bonds (distance) P-C4' energy: -21.072
flat angles C4'-P-C4' energy: -21.495
flat angles P-C4'-P energy: -14.725
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: 7, replica: 3
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -254.122924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.122924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.122924 (E_RNA)
where:
Base-Base interactions energy: -167.807
where: short stacking energy: -66.999
Base-Backbone interact. energy: -1.861
local terms energy: -84.455753
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -21.381
flat angles C4'-P-C4' energy: -18.650
flat angles P-C4'-P energy: -12.524
tors. eta vs tors. theta energy: -16.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -210.623279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.623279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.623279 (E_RNA)
where:
Base-Base interactions energy: -131.560
where: short stacking energy: -60.189
Base-Backbone interact. energy: -0.215
local terms energy: -78.848108
where:
bonds (distance) C4'-P energy: -15.635
bonds (distance) P-C4' energy: -25.052
flat angles C4'-P-C4' energy: -17.817
flat angles P-C4'-P energy: -12.369
tors. eta vs tors. theta energy: -7.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -222.311942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.311942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.311942 (E_RNA)
where:
Base-Base interactions energy: -142.081
where: short stacking energy: -57.064
Base-Backbone interact. energy: -0.150
local terms energy: -80.080991
where:
bonds (distance) C4'-P energy: -17.905
bonds (distance) P-C4' energy: -16.230
flat angles C4'-P-C4' energy: -22.112
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -11.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -185.618397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.618397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.618397 (E_RNA)
where:
Base-Base interactions energy: -100.106
where: short stacking energy: -44.016
Base-Backbone interact. energy: -0.076
local terms energy: -85.435941
where:
bonds (distance) C4'-P energy: -21.033
bonds (distance) P-C4' energy: -21.384
flat angles C4'-P-C4' energy: -21.913
flat angles P-C4'-P energy: -16.367
tors. eta vs tors. theta energy: -4.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -373.074575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.074575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.074575 (E_RNA)
where:
Base-Base interactions energy: -256.505
where: short stacking energy: -111.464
Base-Backbone interact. energy: -0.006
local terms energy: -116.563666
where:
bonds (distance) C4'-P energy: -19.423
bonds (distance) P-C4' energy: -24.709
flat angles C4'-P-C4' energy: -27.095
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -35.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -350.327388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.327388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.327388 (E_RNA)
where:
Base-Base interactions energy: -239.431
where: short stacking energy: -88.358
Base-Backbone interact. energy: -0.434
local terms energy: -110.462954
where:
bonds (distance) C4'-P energy: -25.196
bonds (distance) P-C4' energy: -25.869
flat angles C4'-P-C4' energy: -26.722
flat angles P-C4'-P energy: -14.483
tors. eta vs tors. theta energy: -18.193
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: 1
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -290.250237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.250237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.250237 (E_RNA)
where:
Base-Base interactions energy: -187.884
where: short stacking energy: -101.115
Base-Backbone interact. energy: -0.810
local terms energy: -101.555943
where:
bonds (distance) C4'-P energy: -23.974
bonds (distance) P-C4' energy: -20.405
flat angles C4'-P-C4' energy: -19.848
flat angles P-C4'-P energy: -14.587
tors. eta vs tors. theta energy: -22.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -279.744452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.744452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.744452 (E_RNA)
where:
Base-Base interactions energy: -173.635
where: short stacking energy: -86.971
Base-Backbone interact. energy: 1.154
local terms energy: -107.263530
where:
bonds (distance) C4'-P energy: -25.409
bonds (distance) P-C4' energy: -23.617
flat angles C4'-P-C4' energy: -23.556
flat angles P-C4'-P energy: -12.302
tors. eta vs tors. theta energy: -22.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -267.698884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.698884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.698884 (E_RNA)
where:
Base-Base interactions energy: -174.015
where: short stacking energy: -69.849
Base-Backbone interact. energy: -0.360
local terms energy: -93.324244
where:
bonds (distance) C4'-P energy: -22.964
bonds (distance) P-C4' energy: -22.825
flat angles C4'-P-C4' energy: -20.843
flat angles P-C4'-P energy: -10.878
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: 6, replica: 4
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -247.404967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.404967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.404967 (E_RNA)
where:
Base-Base interactions energy: -155.698
where: short stacking energy: -70.384
Base-Backbone interact. energy: -0.172
local terms energy: -91.535007
where:
bonds (distance) C4'-P energy: -17.064
bonds (distance) P-C4' energy: -23.294
flat angles C4'-P-C4' energy: -18.852
flat angles P-C4'-P energy: -18.548
tors. eta vs tors. theta energy: -13.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -215.443216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.443216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.443216 (E_RNA)
where:
Base-Base interactions energy: -143.381
where: short stacking energy: -63.370
Base-Backbone interact. energy: -0.472
local terms energy: -71.591057
where:
bonds (distance) C4'-P energy: -19.743
bonds (distance) P-C4' energy: -6.653
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -14.837
tors. eta vs tors. theta energy: -15.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -238.031399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.031399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.031399 (E_RNA)
where:
Base-Base interactions energy: -153.386
where: short stacking energy: -68.702
Base-Backbone interact. energy: -0.220
local terms energy: -84.424452
where:
bonds (distance) C4'-P energy: -23.096
bonds (distance) P-C4' energy: -18.688
flat angles C4'-P-C4' energy: -21.634
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -11.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -217.881486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.881486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.881486 (E_RNA)
where:
Base-Base interactions energy: -140.526
where: short stacking energy: -55.895
Base-Backbone interact. energy: -0.452
local terms energy: -76.904439
where:
bonds (distance) C4'-P energy: -22.784
bonds (distance) P-C4' energy: -20.679
flat angles C4'-P-C4' energy: -23.985
flat angles P-C4'-P energy: -4.557
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: 10, replica: 2
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -227.906225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.906225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.906225 (E_RNA)
where:
Base-Base interactions energy: -146.830
where: short stacking energy: -62.083
Base-Backbone interact. energy: -1.270
local terms energy: -79.805989
where:
bonds (distance) C4'-P energy: -18.729
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -14.790
flat angles P-C4'-P energy: -14.257
tors. eta vs tors. theta energy: -12.937
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: 1, replica: 5
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -376.224921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.224921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.224921 (E_RNA)
where:
Base-Base interactions energy: -255.663
where: short stacking energy: -110.767
Base-Backbone interact. energy: -0.088
local terms energy: -120.473948
where:
bonds (distance) C4'-P energy: -25.347
bonds (distance) P-C4' energy: -20.825
flat angles C4'-P-C4' energy: -21.903
flat angles P-C4'-P energy: -17.860
tors. eta vs tors. theta energy: -34.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -361.639001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.639001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.639001 (E_RNA)
where:
Base-Base interactions energy: -253.517
where: short stacking energy: -92.277
Base-Backbone interact. energy: -0.565
local terms energy: -107.557008
where:
bonds (distance) C4'-P energy: -20.358
bonds (distance) P-C4' energy: -21.663
flat angles C4'-P-C4' energy: -22.510
flat angles P-C4'-P energy: -17.897
tors. eta vs tors. theta energy: -25.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -287.532425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.532425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.532425 (E_RNA)
where:
Base-Base interactions energy: -177.770
where: short stacking energy: -88.941
Base-Backbone interact. energy: 0.041
local terms energy: -109.803360
where:
bonds (distance) C4'-P energy: -23.340
bonds (distance) P-C4' energy: -24.067
flat angles C4'-P-C4' energy: -24.242
flat angles P-C4'-P energy: -14.839
tors. eta vs tors. theta energy: -23.316
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: 8
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -291.944974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.944974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.944974 (E_RNA)
where:
Base-Base interactions energy: -195.315
where: short stacking energy: -86.248
Base-Backbone interact. energy: -0.113
local terms energy: -96.517312
where:
bonds (distance) C4'-P energy: -23.307
bonds (distance) P-C4' energy: -16.472
flat angles C4'-P-C4' energy: -20.735
flat angles P-C4'-P energy: -13.173
tors. eta vs tors. theta energy: -22.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -246.074907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.074907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.074907 (E_RNA)
where:
Base-Base interactions energy: -157.943
where: short stacking energy: -71.290
Base-Backbone interact. energy: -0.446
local terms energy: -87.686201
where:
bonds (distance) C4'-P energy: -20.217
bonds (distance) P-C4' energy: -21.261
flat angles C4'-P-C4' energy: -18.828
flat angles P-C4'-P energy: -15.643
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: 6, replica: 4
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -265.344468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.344468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.344468 (E_RNA)
where:
Base-Base interactions energy: -163.069
where: short stacking energy: -82.753
Base-Backbone interact. energy: -0.114
local terms energy: -102.161483
where:
bonds (distance) C4'-P energy: -20.931
bonds (distance) P-C4' energy: -23.681
flat angles C4'-P-C4' energy: -23.594
flat angles P-C4'-P energy: -11.730
tors. eta vs tors. theta energy: -22.226
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: 6
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -207.484122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.484122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.484122 (E_RNA)
where:
Base-Base interactions energy: -127.703
where: short stacking energy: -64.715
Base-Backbone interact. energy: -0.366
local terms energy: -79.415064
where:
bonds (distance) C4'-P energy: -20.234
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -20.839
flat angles P-C4'-P energy: -12.402
tors. eta vs tors. theta energy: -10.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -257.507109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.507109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.507109 (E_RNA)
where:
Base-Base interactions energy: -170.414
where: short stacking energy: -80.557
Base-Backbone interact. energy: -0.096
local terms energy: -86.997885
where:
bonds (distance) C4'-P energy: -14.639
bonds (distance) P-C4' energy: -20.239
flat angles C4'-P-C4' energy: -16.981
flat angles P-C4'-P energy: -16.722
tors. eta vs tors. theta energy: -18.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -226.035364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.035364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.035364 (E_RNA)
where:
Base-Base interactions energy: -148.480
where: short stacking energy: -60.909
Base-Backbone interact. energy: -0.254
local terms energy: -77.301073
where:
bonds (distance) C4'-P energy: -22.463
bonds (distance) P-C4' energy: -9.739
flat angles C4'-P-C4' energy: -21.710
flat angles P-C4'-P energy: -14.003
tors. eta vs tors. theta energy: -9.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -184.228051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.228051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.228051 (E_RNA)
where:
Base-Base interactions energy: -115.064
where: short stacking energy: -51.298
Base-Backbone interact. energy: -0.061
local terms energy: -69.103240
where:
bonds (distance) C4'-P energy: -18.494
bonds (distance) P-C4' energy: -22.697
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -4.867
tors. eta vs tors. theta energy: -8.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -372.344081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.344081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.344081 (E_RNA)
where:
Base-Base interactions energy: -252.781
where: short stacking energy: -107.952
Base-Backbone interact. energy: -0.618
local terms energy: -118.945272
where:
bonds (distance) C4'-P energy: -26.308
bonds (distance) P-C4' energy: -20.665
flat angles C4'-P-C4' energy: -25.181
flat angles P-C4'-P energy: -12.630
tors. eta vs tors. theta energy: -34.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -339.872755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.872755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.872755 (E_RNA)
where:
Base-Base interactions energy: -228.611
where: short stacking energy: -96.234
Base-Backbone interact. energy: 0.220
local terms energy: -111.481576
where:
bonds (distance) C4'-P energy: -20.292
bonds (distance) P-C4' energy: -24.157
flat angles C4'-P-C4' energy: -24.721
flat angles P-C4'-P energy: -17.645
tors. eta vs tors. theta energy: -24.666
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: 8
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -288.939212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.939212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.939212 (E_RNA)
where:
Base-Base interactions energy: -180.071
where: short stacking energy: -97.609
Base-Backbone interact. energy: -0.016
local terms energy: -108.852732
where:
bonds (distance) C4'-P energy: -22.725
bonds (distance) P-C4' energy: -21.708
flat angles C4'-P-C4' energy: -25.916
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: -28.155
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: 1
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -288.729345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.729345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.729345 (E_RNA)
where:
Base-Base interactions energy: -176.989
where: short stacking energy: -88.023
Base-Backbone interact. energy: -0.276
local terms energy: -111.464270
where:
bonds (distance) C4'-P energy: -23.050
bonds (distance) P-C4' energy: -13.836
flat angles C4'-P-C4' energy: -29.088
flat angles P-C4'-P energy: -21.838
tors. eta vs tors. theta energy: -23.653
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: 4
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -254.807327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.807327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.807327 (E_RNA)
where:
Base-Base interactions energy: -164.202
where: short stacking energy: -74.368
Base-Backbone interact. energy: -0.259
local terms energy: -90.345850
where:
bonds (distance) C4'-P energy: -21.683
bonds (distance) P-C4' energy: -21.927
flat angles C4'-P-C4' energy: -15.131
flat angles P-C4'-P energy: -16.521
tors. eta vs tors. theta energy: -15.084
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: 9
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -244.456511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.456511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.456511 (E_RNA)
where:
Base-Base interactions energy: -159.881
where: short stacking energy: -71.021
Base-Backbone interact. energy: -1.441
local terms energy: -83.134545
where:
bonds (distance) C4'-P energy: -21.345
bonds (distance) P-C4' energy: -19.617
flat angles C4'-P-C4' energy: -16.307
flat angles P-C4'-P energy: -10.778
tors. eta vs tors. theta energy: -15.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -282.856992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.856992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.856992 (E_RNA)
where:
Base-Base interactions energy: -177.264
where: short stacking energy: -92.128
Base-Backbone interact. energy: -0.065
local terms energy: -105.528689
where:
bonds (distance) C4'-P energy: -23.576
bonds (distance) P-C4' energy: -18.806
flat angles C4'-P-C4' energy: -18.814
flat angles P-C4'-P energy: -19.914
tors. eta vs tors. theta energy: -24.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -198.180989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.180989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.180989 (E_RNA)
where:
Base-Base interactions energy: -116.993
where: short stacking energy: -53.667
Base-Backbone interact. energy: 0.312
local terms energy: -81.500431
where:
bonds (distance) C4'-P energy: -17.875
bonds (distance) P-C4' energy: -18.760
flat angles C4'-P-C4' energy: -19.918
flat angles P-C4'-P energy: -16.589
tors. eta vs tors. theta energy: -8.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -210.539017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.539017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.539017 (E_RNA)
where:
Base-Base interactions energy: -144.431
where: short stacking energy: -54.753
Base-Backbone interact. energy: -0.833
local terms energy: -65.274354
where:
bonds (distance) C4'-P energy: -6.776
bonds (distance) P-C4' energy: -11.745
flat angles C4'-P-C4' energy: -23.424
flat angles P-C4'-P energy: -15.243
tors. eta vs tors. theta energy: -8.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -191.774253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.774253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.774253 (E_RNA)
where:
Base-Base interactions energy: -108.030
where: short stacking energy: -58.433
Base-Backbone interact. energy: 0.312
local terms energy: -84.056570
where:
bonds (distance) C4'-P energy: -18.030
bonds (distance) P-C4' energy: -22.930
flat angles C4'-P-C4' energy: -22.122
flat angles P-C4'-P energy: -14.632
tors. eta vs tors. theta energy: -6.343
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: 1, replica: 5
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -381.040390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.040390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.040390 (E_RNA)
where:
Base-Base interactions energy: -258.423
where: short stacking energy: -112.399
Base-Backbone interact. energy: 0.692
local terms energy: -123.308701
where:
bonds (distance) C4'-P energy: -20.297
bonds (distance) P-C4' energy: -25.860
flat angles C4'-P-C4' energy: -25.376
flat angles P-C4'-P energy: -17.430
tors. eta vs tors. theta energy: -34.345
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: 7
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -351.072074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.072074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.072074 (E_RNA)
where:
Base-Base interactions energy: -244.514
where: short stacking energy: -94.529
Base-Backbone interact. energy: -0.110
local terms energy: -106.448491
where:
bonds (distance) C4'-P energy: -19.074
bonds (distance) P-C4' energy: -22.875
flat angles C4'-P-C4' energy: -22.353
flat angles P-C4'-P energy: -19.841
tors. eta vs tors. theta energy: -22.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -282.812113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.812113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.812113 (E_RNA)
where:
Base-Base interactions energy: -174.857
where: short stacking energy: -82.687
Base-Backbone interact. energy: -0.053
local terms energy: -107.901911
where:
bonds (distance) C4'-P energy: -18.550
bonds (distance) P-C4' energy: -25.572
flat angles C4'-P-C4' energy: -21.833
flat angles P-C4'-P energy: -16.676
tors. eta vs tors. theta energy: -25.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -292.651744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.651744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.651744 (E_RNA)
where:
Base-Base interactions energy: -198.118
where: short stacking energy: -86.900
Base-Backbone interact. energy: -0.314
local terms energy: -94.219555
where:
bonds (distance) C4'-P energy: -16.439
bonds (distance) P-C4' energy: -21.107
flat angles C4'-P-C4' energy: -16.971
flat angles P-C4'-P energy: -19.695
tors. eta vs tors. theta energy: -20.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -288.116928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.116928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.116928 (E_RNA)
where:
Base-Base interactions energy: -193.430
where: short stacking energy: -84.141
Base-Backbone interact. energy: -0.209
local terms energy: -94.478056
where:
bonds (distance) C4'-P energy: -23.935
bonds (distance) P-C4' energy: -21.194
flat angles C4'-P-C4' energy: -21.317
flat angles P-C4'-P energy: -8.324
tors. eta vs tors. theta energy: -19.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -258.325829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.325829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.325829 (E_RNA)
where:
Base-Base interactions energy: -174.251
where: short stacking energy: -76.386
Base-Backbone interact. energy: -0.148
local terms energy: -83.926906
where:
bonds (distance) C4'-P energy: -22.238
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -13.076
tors. eta vs tors. theta energy: -16.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -232.558013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.558013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.558013 (E_RNA)
where:
Base-Base interactions energy: -150.680
where: short stacking energy: -69.793
Base-Backbone interact. energy: -0.076
local terms energy: -81.802788
where:
bonds (distance) C4'-P energy: -13.670
bonds (distance) P-C4' energy: -26.421
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -15.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -221.552858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.552858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.552858 (E_RNA)
where:
Base-Base interactions energy: -136.239
where: short stacking energy: -69.998
Base-Backbone interact. energy: -0.171
local terms energy: -85.142671
where:
bonds (distance) C4'-P energy: -20.235
bonds (distance) P-C4' energy: -18.959
flat angles C4'-P-C4' energy: -18.842
flat angles P-C4'-P energy: -10.759
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: 9, replica: 6
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -201.872858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.872858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.872858 (E_RNA)
where:
Base-Base interactions energy: -115.215
where: short stacking energy: -52.994
Base-Backbone interact. energy: -0.495
local terms energy: -86.163353
where:
bonds (distance) C4'-P energy: -19.184
bonds (distance) P-C4' energy: -23.828
flat angles C4'-P-C4' energy: -19.100
flat angles P-C4'-P energy: -13.815
tors. eta vs tors. theta energy: -10.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -194.200783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.200783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.200783 (E_RNA)
where:
Base-Base interactions energy: -112.188
where: short stacking energy: -58.245
Base-Backbone interact. energy: -0.448
local terms energy: -81.564208
where:
bonds (distance) C4'-P energy: -18.620
bonds (distance) P-C4' energy: -19.707
flat angles C4'-P-C4' energy: -18.437
flat angles P-C4'-P energy: -16.364
tors. eta vs tors. theta energy: -8.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -368.590224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.590224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.590224 (E_RNA)
where:
Base-Base interactions energy: -251.544
where: short stacking energy: -100.851
Base-Backbone interact. energy: -0.110
local terms energy: -116.936660
where:
bonds (distance) C4'-P energy: -24.682
bonds (distance) P-C4' energy: -23.518
flat angles C4'-P-C4' energy: -20.182
flat angles P-C4'-P energy: -14.365
tors. eta vs tors. theta energy: -34.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -352.919062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.919062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.919062 (E_RNA)
where:
Base-Base interactions energy: -255.554
where: short stacking energy: -102.770
Base-Backbone interact. energy: -0.502
local terms energy: -96.863573
where:
bonds (distance) C4'-P energy: -20.421
bonds (distance) P-C4' energy: -17.238
flat angles C4'-P-C4' energy: -19.801
flat angles P-C4'-P energy: -15.845
tors. eta vs tors. theta energy: -23.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -303.335273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.335273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.335273 (E_RNA)
where:
Base-Base interactions energy: -195.475
where: short stacking energy: -90.938
Base-Backbone interact. energy: -0.739
local terms energy: -107.120721
where:
bonds (distance) C4'-P energy: -22.036
bonds (distance) P-C4' energy: -22.010
flat angles C4'-P-C4' energy: -23.274
flat angles P-C4'-P energy: -16.060
tors. eta vs tors. theta energy: -23.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -279.638579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.638579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.638579 (E_RNA)
where:
Base-Base interactions energy: -182.523
where: short stacking energy: -90.271
Base-Backbone interact. energy: -0.260
local terms energy: -96.855407
where:
bonds (distance) C4'-P energy: -23.278
bonds (distance) P-C4' energy: -22.997
flat angles C4'-P-C4' energy: -21.337
flat angles P-C4'-P energy: -12.322
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: 5, replica: 4
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -282.003781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.003781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.003781 (E_RNA)
where:
Base-Base interactions energy: -189.114
where: short stacking energy: -84.386
Base-Backbone interact. energy: -0.067
local terms energy: -92.822661
where:
bonds (distance) C4'-P energy: -19.605
bonds (distance) P-C4' energy: -15.813
flat angles C4'-P-C4' energy: -20.488
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -26.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -268.742315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.742315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.742315 (E_RNA)
where:
Base-Base interactions energy: -168.308
where: short stacking energy: -86.782
Base-Backbone interact. energy: -0.003
local terms energy: -100.430808
where:
bonds (distance) C4'-P energy: -21.493
bonds (distance) P-C4' energy: -22.156
flat angles C4'-P-C4' energy: -18.632
flat angles P-C4'-P energy: -15.413
tors. eta vs tors. theta energy: -22.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -239.634458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.634458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.634458 (E_RNA)
where:
Base-Base interactions energy: -148.058
where: short stacking energy: -68.050
Base-Backbone interact. energy: -0.402
local terms energy: -91.175105
where:
bonds (distance) C4'-P energy: -19.896
bonds (distance) P-C4' energy: -18.560
flat angles C4'-P-C4' energy: -19.935
flat angles P-C4'-P energy: -19.126
tors. eta vs tors. theta energy: -13.659
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: 8, replica: 9
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -269.765118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.765118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.765118 (E_RNA)
where:
Base-Base interactions energy: -174.464
where: short stacking energy: -85.196
Base-Backbone interact. energy: -1.595
local terms energy: -93.706062
where:
bonds (distance) C4'-P energy: -18.173
bonds (distance) P-C4' energy: -22.176
flat angles C4'-P-C4' energy: -13.007
flat angles P-C4'-P energy: -18.674
tors. eta vs tors. theta energy: -21.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -179.429152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.429152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.429152 (E_RNA)
where:
Base-Base interactions energy: -104.512
where: short stacking energy: -44.723
Base-Backbone interact. energy: -0.478
local terms energy: -74.439256
where:
bonds (distance) C4'-P energy: -18.208
bonds (distance) P-C4' energy: -21.852
flat angles C4'-P-C4' energy: -13.367
flat angles P-C4'-P energy: -15.110
tors. eta vs tors. theta energy: -5.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -192.270325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.270325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.270325 (E_RNA)
where:
Base-Base interactions energy: -111.115
where: short stacking energy: -47.119
Base-Backbone interact. energy: -0.367
local terms energy: -80.787517
where:
bonds (distance) C4'-P energy: -17.474
bonds (distance) P-C4' energy: -19.958
flat angles C4'-P-C4' energy: -19.231
flat angles P-C4'-P energy: -12.954
tors. eta vs tors. theta energy: -11.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -378.797267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.797267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.797267 (E_RNA)
where:
Base-Base interactions energy: -251.916
where: short stacking energy: -112.185
Base-Backbone interact. energy: -0.002
local terms energy: -126.878424
where:
bonds (distance) C4'-P energy: -23.604
bonds (distance) P-C4' energy: -25.462
flat angles C4'-P-C4' energy: -23.476
flat angles P-C4'-P energy: -20.888
tors. eta vs tors. theta energy: -33.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -303.268086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.268086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.268086 (E_RNA)
where:
Base-Base interactions energy: -206.406
where: short stacking energy: -84.493
Base-Backbone interact. energy: -1.338
local terms energy: -95.524668
where:
bonds (distance) C4'-P energy: -17.803
bonds (distance) P-C4' energy: -19.283
flat angles C4'-P-C4' energy: -21.461
flat angles P-C4'-P energy: -15.995
tors. eta vs tors. theta energy: -20.983
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: 7
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -323.841102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.841102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.841102 (E_RNA)
where:
Base-Base interactions energy: -230.044
where: short stacking energy: -75.828
Base-Backbone interact. energy: -0.663
local terms energy: -93.134860
where:
bonds (distance) C4'-P energy: -19.701
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -24.682
flat angles P-C4'-P energy: -15.139
tors. eta vs tors. theta energy: -16.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -285.177545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.177545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.177545 (E_RNA)
where:
Base-Base interactions energy: -188.443
where: short stacking energy: -86.467
Base-Backbone interact. energy: -0.077
local terms energy: -96.658233
where:
bonds (distance) C4'-P energy: -19.140
bonds (distance) P-C4' energy: -18.555
flat angles C4'-P-C4' energy: -21.695
flat angles P-C4'-P energy: -13.526
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: 5, replica: 8
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -282.093355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.093355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.093355 (E_RNA)
where:
Base-Base interactions energy: -180.071
where: short stacking energy: -87.267
Base-Backbone interact. energy: -0.054
local terms energy: -101.969002
where:
bonds (distance) C4'-P energy: -13.235
bonds (distance) P-C4' energy: -21.838
flat angles C4'-P-C4' energy: -23.293
flat angles P-C4'-P energy: -16.883
tors. eta vs tors. theta energy: -26.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -256.432633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.432633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.432633 (E_RNA)
where:
Base-Base interactions energy: -158.060
where: short stacking energy: -80.017
Base-Backbone interact. energy: -0.435
local terms energy: -97.938340
where:
bonds (distance) C4'-P energy: -19.537
bonds (distance) P-C4' energy: -21.073
flat angles C4'-P-C4' energy: -20.954
flat angles P-C4'-P energy: -17.120
tors. eta vs tors. theta energy: -19.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -252.375949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.375949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.375949 (E_RNA)
where:
Base-Base interactions energy: -165.061
where: short stacking energy: -67.267
Base-Backbone interact. energy: -0.595
local terms energy: -86.719953
where:
bonds (distance) C4'-P energy: -22.316
bonds (distance) P-C4' energy: -17.571
flat angles C4'-P-C4' energy: -17.593
flat angles P-C4'-P energy: -12.343
tors. eta vs tors. theta energy: -16.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -266.786400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.786400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.786400 (E_RNA)
where:
Base-Base interactions energy: -179.052
where: short stacking energy: -88.985
Base-Backbone interact. energy: -0.287
local terms energy: -87.446557
where:
bonds (distance) C4'-P energy: -20.091
bonds (distance) P-C4' energy: -19.039
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -8.538
tors. eta vs tors. theta energy: -26.280
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: 2
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -182.163214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.163214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.163214 (E_RNA)
where:
Base-Base interactions energy: -108.343
where: short stacking energy: -43.290
Base-Backbone interact. energy: -0.487
local terms energy: -73.333687
where:
bonds (distance) C4'-P energy: -15.665
bonds (distance) P-C4' energy: -21.246
flat angles C4'-P-C4' energy: -17.801
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -6.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -180.815337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.815337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.815337 (E_RNA)
where:
Base-Base interactions energy: -107.280
where: short stacking energy: -50.761
Base-Backbone interact. energy: 2.389
local terms energy: -75.924220
where:
bonds (distance) C4'-P energy: -19.254
bonds (distance) P-C4' energy: -21.943
flat angles C4'-P-C4' energy: -18.517
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: -3.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -323.392737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.392737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.392737 (E_RNA)
where:
Base-Base interactions energy: -212.757
where: short stacking energy: -94.370
Base-Backbone interact. energy: 0.088
local terms energy: -110.723546
where:
bonds (distance) C4'-P energy: -20.074
bonds (distance) P-C4' energy: -23.278
flat angles C4'-P-C4' energy: -24.938
flat angles P-C4'-P energy: -18.566
tors. eta vs tors. theta energy: -23.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -361.370978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.370978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.370978 (E_RNA)
where:
Base-Base interactions energy: -249.490
where: short stacking energy: -111.144
Base-Backbone interact. energy: -0.004
local terms energy: -111.877574
where:
bonds (distance) C4'-P energy: -21.184
bonds (distance) P-C4' energy: -22.564
flat angles C4'-P-C4' energy: -19.120
flat angles P-C4'-P energy: -14.061
tors. eta vs tors. theta energy: -34.950
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: 7
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -329.167945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.167945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.167945 (E_RNA)
where:
Base-Base interactions energy: -213.325
where: short stacking energy: -89.671
Base-Backbone interact. energy: -0.131
local terms energy: -115.712278
where:
bonds (distance) C4'-P energy: -23.740
bonds (distance) P-C4' energy: -26.865
flat angles C4'-P-C4' energy: -27.218
flat angles P-C4'-P energy: -15.182
tors. eta vs tors. theta energy: -22.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -302.676141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.676141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.676141 (E_RNA)
where:
Base-Base interactions energy: -206.408
where: short stacking energy: -88.470
Base-Backbone interact. energy: -1.030
local terms energy: -95.237724
where:
bonds (distance) C4'-P energy: -21.022
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -20.556
flat angles P-C4'-P energy: -13.843
tors. eta vs tors. theta energy: -24.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -270.579943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.579943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.579943 (E_RNA)
where:
Base-Base interactions energy: -178.480
where: short stacking energy: -82.168
Base-Backbone interact. energy: -0.033
local terms energy: -92.066632
where:
bonds (distance) C4'-P energy: -19.039
bonds (distance) P-C4' energy: -16.476
flat angles C4'-P-C4' energy: -22.051
flat angles P-C4'-P energy: -14.259
tors. eta vs tors. theta energy: -20.241
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: 3
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -277.148762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.148762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.148762 (E_RNA)
where:
Base-Base interactions energy: -196.500
where: short stacking energy: -80.577
Base-Backbone interact. energy: -0.165
local terms energy: -80.483952
where:
bonds (distance) C4'-P energy: -11.905
bonds (distance) P-C4' energy: -20.548
flat angles C4'-P-C4' energy: -16.947
flat angles P-C4'-P energy: -13.344
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: 7, replica: 10
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -248.327567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.327567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.327567 (E_RNA)
where:
Base-Base interactions energy: -154.799
where: short stacking energy: -62.529
Base-Backbone interact. energy: 2.169
local terms energy: -95.697369
where:
bonds (distance) C4'-P energy: -17.188
bonds (distance) P-C4' energy: -25.114
flat angles C4'-P-C4' energy: -19.070
flat angles P-C4'-P energy: -19.032
tors. eta vs tors. theta energy: -15.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -232.470757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.470757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.470757 (E_RNA)
where:
Base-Base interactions energy: -144.759
where: short stacking energy: -57.413
Base-Backbone interact. energy: 1.817
local terms energy: -89.529382
where:
bonds (distance) C4'-P energy: -20.024
bonds (distance) P-C4' energy: -20.410
flat angles C4'-P-C4' energy: -22.398
flat angles P-C4'-P energy: -16.448
tors. eta vs tors. theta energy: -10.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -196.618476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.618476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.618476 (E_RNA)
where:
Base-Base interactions energy: -111.208
where: short stacking energy: -65.869
Base-Backbone interact. energy: -0.341
local terms energy: -85.069933
where:
bonds (distance) C4'-P energy: -9.408
bonds (distance) P-C4' energy: -23.185
flat angles C4'-P-C4' energy: -26.718
flat angles P-C4'-P energy: -13.410
tors. eta vs tors. theta energy: -12.349
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: 2
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -196.649220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.649220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.649220 (E_RNA)
where:
Base-Base interactions energy: -110.772
where: short stacking energy: -44.635
Base-Backbone interact. energy: -0.288
local terms energy: -85.589510
where:
bonds (distance) C4'-P energy: -19.919
bonds (distance) P-C4' energy: -19.031
flat angles C4'-P-C4' energy: -19.958
flat angles P-C4'-P energy: -18.200
tors. eta vs tors. theta energy: -8.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -320.676875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.676875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.676875 (E_RNA)
where:
Base-Base interactions energy: -209.274
where: short stacking energy: -105.289
Base-Backbone interact. energy: -0.269
local terms energy: -111.134368
where:
bonds (distance) C4'-P energy: -26.577
bonds (distance) P-C4' energy: -18.309
flat angles C4'-P-C4' energy: -26.836
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -28.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -369.677555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.677555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.677555 (E_RNA)
where:
Base-Base interactions energy: -255.205
where: short stacking energy: -111.424
Base-Backbone interact. energy: -0.001
local terms energy: -114.471082
where:
bonds (distance) C4'-P energy: -23.824
bonds (distance) P-C4' energy: -23.273
flat angles C4'-P-C4' energy: -20.142
flat angles P-C4'-P energy: -14.080
tors. eta vs tors. theta energy: -33.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -314.468607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.468607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.468607 (E_RNA)
where:
Base-Base interactions energy: -212.602
where: short stacking energy: -98.299
Base-Backbone interact. energy: -0.183
local terms energy: -101.683422
where:
bonds (distance) C4'-P energy: -22.301
bonds (distance) P-C4' energy: -21.415
flat angles C4'-P-C4' energy: -21.422
flat angles P-C4'-P energy: -14.386
tors. eta vs tors. theta energy: -22.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -297.836109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.836109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.836109 (E_RNA)
where:
Base-Base interactions energy: -201.807
where: short stacking energy: -92.681
Base-Backbone interact. energy: -0.505
local terms energy: -95.524308
where:
bonds (distance) C4'-P energy: -17.958
bonds (distance) P-C4' energy: -19.739
flat angles C4'-P-C4' energy: -21.243
flat angles P-C4'-P energy: -14.659
tors. eta vs tors. theta energy: -21.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -280.512000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.512000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.512000 (E_RNA)
where:
Base-Base interactions energy: -185.952
where: short stacking energy: -83.147
Base-Backbone interact. energy: -0.197
local terms energy: -94.362667
where:
bonds (distance) C4'-P energy: -23.100
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -19.375
flat angles P-C4'-P energy: -11.183
tors. eta vs tors. theta energy: -23.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -269.086603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.086603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.086603 (E_RNA)
where:
Base-Base interactions energy: -166.370
where: short stacking energy: -80.304
Base-Backbone interact. energy: -0.446
local terms energy: -102.270901
where:
bonds (distance) C4'-P energy: -21.241
bonds (distance) P-C4' energy: -20.958
flat angles C4'-P-C4' energy: -20.867
flat angles P-C4'-P energy: -21.491
tors. eta vs tors. theta energy: -17.714
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: 10
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -254.462622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.462622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.462622 (E_RNA)
where:
Base-Base interactions energy: -161.188
where: short stacking energy: -73.756
Base-Backbone interact. energy: -0.219
local terms energy: -93.056300
where:
bonds (distance) C4'-P energy: -20.471
bonds (distance) P-C4' energy: -22.115
flat angles C4'-P-C4' energy: -17.975
flat angles P-C4'-P energy: -15.466
tors. eta vs tors. theta energy: -17.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -242.237013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.237013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.237013 (E_RNA)
where:
Base-Base interactions energy: -147.664
where: short stacking energy: -63.977
Base-Backbone interact. energy: -0.784
local terms energy: -93.789398
where:
bonds (distance) C4'-P energy: -21.340
bonds (distance) P-C4' energy: -22.228
flat angles C4'-P-C4' energy: -22.988
flat angles P-C4'-P energy: -12.300
tors. eta vs tors. theta energy: -14.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -215.649866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.649866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.649866 (E_RNA)
where:
Base-Base interactions energy: -149.291
where: short stacking energy: -62.903
Base-Backbone interact. energy: -0.162
local terms energy: -66.197229
where:
bonds (distance) C4'-P energy: -7.740
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -21.575
flat angles P-C4'-P energy: -8.357
tors. eta vs tors. theta energy: -9.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -187.134811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.134811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.134811 (E_RNA)
where:
Base-Base interactions energy: -110.859
where: short stacking energy: -44.318
Base-Backbone interact. energy: -0.551
local terms energy: -75.725098
where:
bonds (distance) C4'-P energy: -16.275
bonds (distance) P-C4' energy: -20.470
flat angles C4'-P-C4' energy: -22.962
flat angles P-C4'-P energy: -11.846
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: 1, replica: 5
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -370.617993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.617993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.617993 (E_RNA)
where:
Base-Base interactions energy: -242.204
where: short stacking energy: -115.811
Base-Backbone interact. energy: -0.003
local terms energy: -128.410645
where:
bonds (distance) C4'-P energy: -23.195
bonds (distance) P-C4' energy: -26.251
flat angles C4'-P-C4' energy: -25.291
flat angles P-C4'-P energy: -16.669
tors. eta vs tors. theta energy: -37.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -313.138725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.138725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.138725 (E_RNA)
where:
Base-Base interactions energy: -206.251
where: short stacking energy: -98.020
Base-Backbone interact. energy: -0.189
local terms energy: -106.698006
where:
bonds (distance) C4'-P energy: -20.367
bonds (distance) P-C4' energy: -22.329
flat angles C4'-P-C4' energy: -25.502
flat angles P-C4'-P energy: -11.534
tors. eta vs tors. theta energy: -26.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -305.334507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.334507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.334507 (E_RNA)
where:
Base-Base interactions energy: -206.175
where: short stacking energy: -74.728
Base-Backbone interact. energy: 0.333
local terms energy: -99.492747
where:
bonds (distance) C4'-P energy: -19.893
bonds (distance) P-C4' energy: -22.101
flat angles C4'-P-C4' energy: -23.728
flat angles P-C4'-P energy: -16.884
tors. eta vs tors. theta energy: -16.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -280.739390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.739390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.739390 (E_RNA)
where:
Base-Base interactions energy: -175.614
where: short stacking energy: -88.483
Base-Backbone interact. energy: -0.267
local terms energy: -104.858706
where:
bonds (distance) C4'-P energy: -20.984
bonds (distance) P-C4' energy: -25.231
flat angles C4'-P-C4' energy: -23.694
flat angles P-C4'-P energy: -14.198
tors. eta vs tors. theta energy: -20.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -310.027471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.027471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.027471 (E_RNA)
where:
Base-Base interactions energy: -203.270
where: short stacking energy: -94.873
Base-Backbone interact. energy: -0.392
local terms energy: -106.365568
where:
bonds (distance) C4'-P energy: -21.772
bonds (distance) P-C4' energy: -23.257
flat angles C4'-P-C4' energy: -17.940
flat angles P-C4'-P energy: -19.364
tors. eta vs tors. theta energy: -24.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -244.107983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.107983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.107983 (E_RNA)
where:
Base-Base interactions energy: -152.168
where: short stacking energy: -74.011
Base-Backbone interact. energy: 1.102
local terms energy: -93.042150
where:
bonds (distance) C4'-P energy: -17.085
bonds (distance) P-C4' energy: -22.872
flat angles C4'-P-C4' energy: -17.286
flat angles P-C4'-P energy: -15.470
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: 7, replica: 9
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -251.093814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.093814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.093814 (E_RNA)
where:
Base-Base interactions energy: -169.509
where: short stacking energy: -74.152
Base-Backbone interact. energy: -0.866
local terms energy: -80.718583
where:
bonds (distance) C4'-P energy: -13.814
bonds (distance) P-C4' energy: -13.009
flat angles C4'-P-C4' energy: -21.616
flat angles P-C4'-P energy: -14.712
tors. eta vs tors. theta energy: -17.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -253.747469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.747469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.747469 (E_RNA)
where:
Base-Base interactions energy: -164.724
where: short stacking energy: -76.430
Base-Backbone interact. energy: -0.570
local terms energy: -88.453230
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -18.536
flat angles C4'-P-C4' energy: -25.419
flat angles P-C4'-P energy: -11.742
tors. eta vs tors. theta energy: -17.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -206.475948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.475948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.475948 (E_RNA)
where:
Base-Base interactions energy: -118.732
where: short stacking energy: -57.581
Base-Backbone interact. energy: -0.834
local terms energy: -86.910080
where:
bonds (distance) C4'-P energy: -17.652
bonds (distance) P-C4' energy: -28.210
flat angles C4'-P-C4' energy: -19.145
flat angles P-C4'-P energy: -12.164
tors. eta vs tors. theta energy: -9.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -194.191480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.191480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.191480 (E_RNA)
where:
Base-Base interactions energy: -119.043
where: short stacking energy: -59.442
Base-Backbone interact. energy: -0.336
local terms energy: -74.812697
where:
bonds (distance) C4'-P energy: -14.808
bonds (distance) P-C4' energy: -22.875
flat angles C4'-P-C4' energy: -16.630
flat angles P-C4'-P energy: -11.563
tors. eta vs tors. theta energy: -8.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -365.907039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.907039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.907039 (E_RNA)
where:
Base-Base interactions energy: -244.648
where: short stacking energy: -105.448
Base-Backbone interact. energy: -0.102
local terms energy: -121.156651
where:
bonds (distance) C4'-P energy: -26.230
bonds (distance) P-C4' energy: -19.706
flat angles C4'-P-C4' energy: -24.352
flat angles P-C4'-P energy: -16.992
tors. eta vs tors. theta energy: -33.878
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: 7
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -337.164436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.164436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.164436 (E_RNA)
where:
Base-Base interactions energy: -226.127
where: short stacking energy: -77.942
Base-Backbone interact. energy: -0.355
local terms energy: -110.682081
where:
bonds (distance) C4'-P energy: -19.341
bonds (distance) P-C4' energy: -26.163
flat angles C4'-P-C4' energy: -23.844
flat angles P-C4'-P energy: -17.184
tors. eta vs tors. theta energy: -24.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -305.480943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.480943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.480943 (E_RNA)
where:
Base-Base interactions energy: -198.544
where: short stacking energy: -84.932
Base-Backbone interact. energy: -0.679
local terms energy: -106.257932
where:
bonds (distance) C4'-P energy: -24.529
bonds (distance) P-C4' energy: -26.477
flat angles C4'-P-C4' energy: -25.368
flat angles P-C4'-P energy: -6.453
tors. eta vs tors. theta energy: -23.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -290.038878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.038878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.038878 (E_RNA)
where:
Base-Base interactions energy: -193.259
where: short stacking energy: -80.390
Base-Backbone interact. energy: -1.059
local terms energy: -95.721467
where:
bonds (distance) C4'-P energy: -23.391
bonds (distance) P-C4' energy: -22.824
flat angles C4'-P-C4' energy: -22.913
flat angles P-C4'-P energy: -13.623
tors. eta vs tors. theta energy: -12.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -289.537066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.537066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.537066 (E_RNA)
where:
Base-Base interactions energy: -187.359
where: short stacking energy: -86.045
Base-Backbone interact. energy: -0.850
local terms energy: -101.327477
where:
bonds (distance) C4'-P energy: -20.863
bonds (distance) P-C4' energy: -27.435
flat angles C4'-P-C4' energy: -20.555
flat angles P-C4'-P energy: -15.573
tors. eta vs tors. theta energy: -16.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -265.500048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.500048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.500048 (E_RNA)
where:
Base-Base interactions energy: -170.463
where: short stacking energy: -86.890
Base-Backbone interact. energy: -0.116
local terms energy: -94.920675
where:
bonds (distance) C4'-P energy: -19.295
bonds (distance) P-C4' energy: -18.541
flat angles C4'-P-C4' energy: -17.461
flat angles P-C4'-P energy: -15.223
tors. eta vs tors. theta energy: -24.401
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: 3
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -256.151525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.151525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.151525 (E_RNA)
where:
Base-Base interactions energy: -168.769
where: short stacking energy: -87.242
Base-Backbone interact. energy: 0.588
local terms energy: -87.971339
where:
bonds (distance) C4'-P energy: -17.881
bonds (distance) P-C4' energy: -15.698
flat angles C4'-P-C4' energy: -18.639
flat angles P-C4'-P energy: -16.391
tors. eta vs tors. theta energy: -19.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -251.304687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.304687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.304687 (E_RNA)
where:
Base-Base interactions energy: -159.963
where: short stacking energy: -75.794
Base-Backbone interact. energy: -0.643
local terms energy: -90.698226
where:
bonds (distance) C4'-P energy: -17.495
bonds (distance) P-C4' energy: -22.704
flat angles C4'-P-C4' energy: -15.826
flat angles P-C4'-P energy: -13.156
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: 9, replica: 2
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -191.219935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.219935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.219935 (E_RNA)
where:
Base-Base interactions energy: -109.306
where: short stacking energy: -48.023
Base-Backbone interact. energy: -0.562
local terms energy: -81.351966
where:
bonds (distance) C4'-P energy: -21.290
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -24.667
flat angles P-C4'-P energy: -16.229
tors. eta vs tors. theta energy: -3.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -182.063316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.063316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.063316 (E_RNA)
where:
Base-Base interactions energy: -112.472
where: short stacking energy: -51.365
Base-Backbone interact. energy: -0.198
local terms energy: -69.393339
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -22.008
flat angles C4'-P-C4' energy: -19.617
flat angles P-C4'-P energy: -7.493
tors. eta vs tors. theta energy: -2.691
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: 1, replica: 5
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -368.062715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.062715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.062715 (E_RNA)
where:
Base-Base interactions energy: -252.572
where: short stacking energy: -107.340
Base-Backbone interact. energy: -0.227
local terms energy: -115.263614
where:
bonds (distance) C4'-P energy: -21.646
bonds (distance) P-C4' energy: -22.304
flat angles C4'-P-C4' energy: -25.880
flat angles P-C4'-P energy: -14.196
tors. eta vs tors. theta energy: -31.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -334.286777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.286777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.286777 (E_RNA)
where:
Base-Base interactions energy: -229.912
where: short stacking energy: -88.571
Base-Backbone interact. energy: -0.313
local terms energy: -104.061564
where:
bonds (distance) C4'-P energy: -26.156
bonds (distance) P-C4' energy: -27.366
flat angles C4'-P-C4' energy: -18.924
flat angles P-C4'-P energy: -13.206
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: 3, replica: 1
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -302.509584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.509584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.509584 (E_RNA)
where:
Base-Base interactions energy: -193.565
where: short stacking energy: -99.479
Base-Backbone interact. energy: -0.264
local terms energy: -108.680536
where:
bonds (distance) C4'-P energy: -16.625
bonds (distance) P-C4' energy: -26.368
flat angles C4'-P-C4' energy: -22.029
flat angles P-C4'-P energy: -16.686
tors. eta vs tors. theta energy: -26.973
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: 4, replica: 8
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -309.919380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.919380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.919380 (E_RNA)
where:
Base-Base interactions energy: -204.204
where: short stacking energy: -97.533
Base-Backbone interact. energy: -0.128
local terms energy: -105.586685
where:
bonds (distance) C4'-P energy: -21.286
bonds (distance) P-C4' energy: -24.390
flat angles C4'-P-C4' energy: -20.228
flat angles P-C4'-P energy: -10.869
tors. eta vs tors. theta energy: -28.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -313.729583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.729583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.729583 (E_RNA)
where:
Base-Base interactions energy: -212.390
where: short stacking energy: -83.228
Base-Backbone interact. energy: -0.357
local terms energy: -100.983562
where:
bonds (distance) C4'-P energy: -23.464
bonds (distance) P-C4' energy: -20.699
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -16.410
tors. eta vs tors. theta energy: -26.029
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: 6, replica: 9
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -269.154918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.154918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.154918 (E_RNA)
where:
Base-Base interactions energy: -183.018
where: short stacking energy: -96.603
Base-Backbone interact. energy: -0.170
local terms energy: -85.966481
where:
bonds (distance) C4'-P energy: -14.990
bonds (distance) P-C4' energy: -23.346
flat angles C4'-P-C4' energy: -22.293
flat angles P-C4'-P energy: -6.051
tors. eta vs tors. theta energy: -19.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -295.044320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.044320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.044320 (E_RNA)
where:
Base-Base interactions energy: -200.906
where: short stacking energy: -71.401
Base-Backbone interact. energy: 1.414
local terms energy: -95.553004
where:
bonds (distance) C4'-P energy: -16.017
bonds (distance) P-C4' energy: -21.012
flat angles C4'-P-C4' energy: -20.616
flat angles P-C4'-P energy: -18.681
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: 8, replica: 3
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -252.718498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.718498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.718498 (E_RNA)
where:
Base-Base interactions energy: -150.076
where: short stacking energy: -77.711
Base-Backbone interact. energy: 0.151
local terms energy: -102.793325
where:
bonds (distance) C4'-P energy: -24.228
bonds (distance) P-C4' energy: -20.511
flat angles C4'-P-C4' energy: -24.804
flat angles P-C4'-P energy: -15.260
tors. eta vs tors. theta energy: -17.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -205.149732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.149732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.149732 (E_RNA)
where:
Base-Base interactions energy: -116.705
where: short stacking energy: -53.994
Base-Backbone interact. energy: -0.143
local terms energy: -88.301493
where:
bonds (distance) C4'-P energy: -17.556
bonds (distance) P-C4' energy: -21.552
flat angles C4'-P-C4' energy: -22.869
flat angles P-C4'-P energy: -18.892
tors. eta vs tors. theta energy: -7.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -191.439435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.439435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.439435 (E_RNA)
where:
Base-Base interactions energy: -117.112
where: short stacking energy: -66.420
Base-Backbone interact. energy: -0.414
local terms energy: -73.913365
where:
bonds (distance) C4'-P energy: -20.416
bonds (distance) P-C4' energy: -14.721
flat angles C4'-P-C4' energy: -17.176
flat angles P-C4'-P energy: -12.273
tors. eta vs tors. theta energy: -9.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -359.893007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.893007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.893007 (E_RNA)
where:
Base-Base interactions energy: -243.863
where: short stacking energy: -105.699
Base-Backbone interact. energy: 1.276
local terms energy: -117.306127
where:
bonds (distance) C4'-P energy: -21.624
bonds (distance) P-C4' energy: -23.423
flat angles C4'-P-C4' energy: -25.150
flat angles P-C4'-P energy: -18.652
tors. eta vs tors. theta energy: -28.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -298.106555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.106555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.106555 (E_RNA)
where:
Base-Base interactions energy: -190.404
where: short stacking energy: -100.261
Base-Backbone interact. energy: -0.043
local terms energy: -107.659902
where:
bonds (distance) C4'-P energy: -24.123
bonds (distance) P-C4' energy: -22.377
flat angles C4'-P-C4' energy: -23.712
flat angles P-C4'-P energy: -15.624
tors. eta vs tors. theta energy: -21.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -309.804930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.804930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.804930 (E_RNA)
where:
Base-Base interactions energy: -207.691
where: short stacking energy: -89.536
Base-Backbone interact. energy: -0.506
local terms energy: -101.608554
where:
bonds (distance) C4'-P energy: -23.693
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -20.672
flat angles P-C4'-P energy: -15.040
tors. eta vs tors. theta energy: -24.419
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: 4, replica: 4
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -315.507957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.507957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.507957 (E_RNA)
where:
Base-Base interactions energy: -207.062
where: short stacking energy: -95.294
Base-Backbone interact. energy: -0.058
local terms energy: -108.388725
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -25.231
flat angles C4'-P-C4' energy: -26.574
flat angles P-C4'-P energy: -16.648
tors. eta vs tors. theta energy: -25.245
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: 8
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -265.031175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.031175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.031175 (E_RNA)
where:
Base-Base interactions energy: -175.781
where: short stacking energy: -76.007
Base-Backbone interact. energy: 3.501
local terms energy: -92.751599
where:
bonds (distance) C4'-P energy: -20.588
bonds (distance) P-C4' energy: -24.658
flat angles C4'-P-C4' energy: -19.465
flat angles P-C4'-P energy: -10.043
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: 6, replica: 10
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -271.284695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.284695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.284695 (E_RNA)
where:
Base-Base interactions energy: -168.013
where: short stacking energy: -84.674
Base-Backbone interact. energy: 1.264
local terms energy: -104.535984
where:
bonds (distance) C4'-P energy: -20.180
bonds (distance) P-C4' energy: -25.519
flat angles C4'-P-C4' energy: -25.027
flat angles P-C4'-P energy: -17.365
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: 7, replica: 9
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -256.591616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.591616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.591616 (E_RNA)
where:
Base-Base interactions energy: -167.935
where: short stacking energy: -76.358
Base-Backbone interact. energy: -0.050
local terms energy: -88.606431
where:
bonds (distance) C4'-P energy: -17.796
bonds (distance) P-C4' energy: -17.512
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -13.480
tors. eta vs tors. theta energy: -23.997
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: 8, replica: 6
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -199.096392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.096392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.096392 (E_RNA)
where:
Base-Base interactions energy: -109.619
where: short stacking energy: -52.314
Base-Backbone interact. energy: -0.908
local terms energy: -88.569948
where:
bonds (distance) C4'-P energy: -24.954
bonds (distance) P-C4' energy: -25.305
flat angles C4'-P-C4' energy: -18.853
flat angles P-C4'-P energy: -12.750
tors. eta vs tors. theta energy: -6.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -235.003121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.003121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.003121 (E_RNA)
where:
Base-Base interactions energy: -151.800
where: short stacking energy: -71.937
Base-Backbone interact. energy: -0.149
local terms energy: -83.053650
where:
bonds (distance) C4'-P energy: -21.346
bonds (distance) P-C4' energy: -16.832
flat angles C4'-P-C4' energy: -19.087
flat angles P-C4'-P energy: -11.956
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: 10, replica: 2
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -186.667273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.667273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.667273 (E_RNA)
where:
Base-Base interactions energy: -115.812
where: short stacking energy: -57.071
Base-Backbone interact. energy: 0.636
local terms energy: -71.491701
where:
bonds (distance) C4'-P energy: -22.123
bonds (distance) P-C4' energy: -19.127
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -11.170
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: 5
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -365.213793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.213793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.213793 (E_RNA)
where:
Base-Base interactions energy: -248.816
where: short stacking energy: -110.081
Base-Backbone interact. energy: -0.175
local terms energy: -116.222989
where:
bonds (distance) C4'-P energy: -19.493
bonds (distance) P-C4' energy: -22.184
flat angles C4'-P-C4' energy: -26.839
flat angles P-C4'-P energy: -16.356
tors. eta vs tors. theta energy: -31.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -289.843887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.843887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.843887 (E_RNA)
where:
Base-Base interactions energy: -184.139
where: short stacking energy: -86.250
Base-Backbone interact. energy: -0.606
local terms energy: -105.099545
where:
bonds (distance) C4'-P energy: -23.643
bonds (distance) P-C4' energy: -20.063
flat angles C4'-P-C4' energy: -18.768
flat angles P-C4'-P energy: -16.240
tors. eta vs tors. theta energy: -26.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -321.387686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.387686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.387686 (E_RNA)
where:
Base-Base interactions energy: -214.890
where: short stacking energy: -86.155
Base-Backbone interact. energy: -0.315
local terms energy: -106.182881
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -25.220
flat angles C4'-P-C4' energy: -23.129
flat angles P-C4'-P energy: -17.818
tors. eta vs tors. theta energy: -23.255
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: 118
Temperature: 1.050000
Total energy: -302.249835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.249835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.249835 (E_RNA)
where:
Base-Base interactions energy: -206.775
where: short stacking energy: -97.891
Base-Backbone interact. energy: -0.711
local terms energy: -94.763960
where:
bonds (distance) C4'-P energy: -19.598
bonds (distance) P-C4' energy: -13.406
flat angles C4'-P-C4' energy: -20.809
flat angles P-C4'-P energy: -17.323
tors. eta vs tors. theta energy: -23.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -300.359849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.359849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.359849 (E_RNA)
where:
Base-Base interactions energy: -204.538
where: short stacking energy: -89.904
Base-Backbone interact. energy: -0.739
local terms energy: -95.083033
where:
bonds (distance) C4'-P energy: -18.565
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -26.543
flat angles P-C4'-P energy: -7.711
tors. eta vs tors. theta energy: -25.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -271.636174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.636174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.636174 (E_RNA)
where:
Base-Base interactions energy: -169.426
where: short stacking energy: -85.421
Base-Backbone interact. energy: 0.204
local terms energy: -102.414260
where:
bonds (distance) C4'-P energy: -20.225
bonds (distance) P-C4' energy: -25.885
flat angles C4'-P-C4' energy: -19.949
flat angles P-C4'-P energy: -18.092
tors. eta vs tors. theta energy: -18.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -262.092880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.092880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.092880 (E_RNA)
where:
Base-Base interactions energy: -168.168
where: short stacking energy: -69.096
Base-Backbone interact. energy: 0.472
local terms energy: -94.396390
where:
bonds (distance) C4'-P energy: -18.866
bonds (distance) P-C4' energy: -19.622
flat angles C4'-P-C4' energy: -22.467
flat angles P-C4'-P energy: -13.609
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: 8, replica: 6
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -201.846326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.846326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.846326 (E_RNA)
where:
Base-Base interactions energy: -123.078
where: short stacking energy: -54.857
Base-Backbone interact. energy: -0.193
local terms energy: -78.575101
where:
bonds (distance) C4'-P energy: -18.115
bonds (distance) P-C4' energy: -21.471
flat angles C4'-P-C4' energy: -19.981
flat angles P-C4'-P energy: -13.024
tors. eta vs tors. theta energy: -5.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -187.560421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.560421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.560421 (E_RNA)
where:
Base-Base interactions energy: -107.630
where: short stacking energy: -53.972
Base-Backbone interact. energy: -0.458
local terms energy: -79.473096
where:
bonds (distance) C4'-P energy: -20.663
bonds (distance) P-C4' energy: -13.629
flat angles C4'-P-C4' energy: -22.389
flat angles P-C4'-P energy: -17.640
tors. eta vs tors. theta energy: -5.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -187.424532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.424532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.424532 (E_RNA)
where:
Base-Base interactions energy: -117.035
where: short stacking energy: -58.620
Base-Backbone interact. energy: 0.458
local terms energy: -70.847225
where:
bonds (distance) C4'-P energy: -21.075
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -16.916
flat angles P-C4'-P energy: -14.812
tors. eta vs tors. theta energy: -3.110
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: 5
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -365.410749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.410749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.410749 (E_RNA)
where:
Base-Base interactions energy: -243.642
where: short stacking energy: -114.376
Base-Backbone interact. energy: -0.032
local terms energy: -121.736787
where:
bonds (distance) C4'-P energy: -24.010
bonds (distance) P-C4' energy: -22.764
flat angles C4'-P-C4' energy: -24.090
flat angles P-C4'-P energy: -14.357
tors. eta vs tors. theta energy: -36.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -311.466107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.466107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.466107 (E_RNA)
where:
Base-Base interactions energy: -201.671
where: short stacking energy: -96.381
Base-Backbone interact. energy: -0.074
local terms energy: -109.721124
where:
bonds (distance) C4'-P energy: -21.664
bonds (distance) P-C4' energy: -24.275
flat angles C4'-P-C4' energy: -20.600
flat angles P-C4'-P energy: -19.401
tors. eta vs tors. theta energy: -23.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -280.822701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.822701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.822701 (E_RNA)
where:
Base-Base interactions energy: -179.522
where: short stacking energy: -84.740
Base-Backbone interact. energy: -0.289
local terms energy: -101.011290
where:
bonds (distance) C4'-P energy: -18.483
bonds (distance) P-C4' energy: -21.300
flat angles C4'-P-C4' energy: -21.232
flat angles P-C4'-P energy: -20.625
tors. eta vs tors. theta energy: -19.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -292.090972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.090972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.090972 (E_RNA)
where:
Base-Base interactions energy: -193.811
where: short stacking energy: -75.486
Base-Backbone interact. energy: 0.137
local terms energy: -98.416910
where:
bonds (distance) C4'-P energy: -21.982
bonds (distance) P-C4' energy: -21.751
flat angles C4'-P-C4' energy: -20.736
flat angles P-C4'-P energy: -11.781
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: 5, replica: 7
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -283.524389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.524389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.524389 (E_RNA)
where:
Base-Base interactions energy: -188.296
where: short stacking energy: -91.967
Base-Backbone interact. energy: -0.133
local terms energy: -95.094606
where:
bonds (distance) C4'-P energy: -17.331
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -21.310
flat angles P-C4'-P energy: -15.020
tors. eta vs tors. theta energy: -25.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -248.827714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.827714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.827714 (E_RNA)
where:
Base-Base interactions energy: -160.106
where: short stacking energy: -78.431
Base-Backbone interact. energy: -0.133
local terms energy: -88.588812
where:
bonds (distance) C4'-P energy: -19.009
bonds (distance) P-C4' energy: -20.705
flat angles C4'-P-C4' energy: -20.183
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: -17.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -245.088635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.088635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.088635 (E_RNA)
where:
Base-Base interactions energy: -153.331
where: short stacking energy: -62.193
Base-Backbone interact. energy: -0.234
local terms energy: -91.524269
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -21.161
flat angles C4'-P-C4' energy: -19.123
flat angles P-C4'-P energy: -16.388
tors. eta vs tors. theta energy: -19.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -195.167885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.167885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.167885 (E_RNA)
where:
Base-Base interactions energy: -115.435
where: short stacking energy: -59.840
Base-Backbone interact. energy: -0.242
local terms energy: -79.490817
where:
bonds (distance) C4'-P energy: -21.966
bonds (distance) P-C4' energy: -10.824
flat angles C4'-P-C4' energy: -24.285
flat angles P-C4'-P energy: -14.671
tors. eta vs tors. theta energy: -7.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -184.563218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.563218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.563218 (E_RNA)
where:
Base-Base interactions energy: -103.634
where: short stacking energy: -47.769
Base-Backbone interact. energy: -0.153
local terms energy: -80.776704
where:
bonds (distance) C4'-P energy: -21.100
bonds (distance) P-C4' energy: -20.506
flat angles C4'-P-C4' energy: -17.220
flat angles P-C4'-P energy: -15.883
tors. eta vs tors. theta energy: -6.068
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: 3
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -196.778407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.778407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.778407 (E_RNA)
where:
Base-Base interactions energy: -120.150
where: short stacking energy: -61.471
Base-Backbone interact. energy: 0.295
local terms energy: -76.923415
where:
bonds (distance) C4'-P energy: -25.704
bonds (distance) P-C4' energy: -21.247
flat angles C4'-P-C4' energy: -10.383
flat angles P-C4'-P energy: -11.710
tors. eta vs tors. theta energy: -7.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -335.477080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.477080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.477080 (E_RNA)
where:
Base-Base interactions energy: -214.529
where: short stacking energy: -98.790
Base-Backbone interact. energy: 0.309
local terms energy: -121.257187
where:
bonds (distance) C4'-P energy: -24.601
bonds (distance) P-C4' energy: -25.339
flat angles C4'-P-C4' energy: -26.960
flat angles P-C4'-P energy: -15.920
tors. eta vs tors. theta energy: -28.438
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: 2, replica: 5
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -363.773357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.773357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.773357 (E_RNA)
where:
Base-Base interactions energy: -251.358
where: short stacking energy: -116.771
Base-Backbone interact. energy: -0.219
local terms energy: -112.196450
where:
bonds (distance) C4'-P energy: -18.015
bonds (distance) P-C4' energy: -23.348
flat angles C4'-P-C4' energy: -25.948
flat angles P-C4'-P energy: -12.774
tors. eta vs tors. theta energy: -32.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -307.931468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.931468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.931468 (E_RNA)
where:
Base-Base interactions energy: -208.186
where: short stacking energy: -92.837
Base-Backbone interact. energy: -1.260
local terms energy: -98.485358
where:
bonds (distance) C4'-P energy: -21.129
bonds (distance) P-C4' energy: -19.165
flat angles C4'-P-C4' energy: -25.309
flat angles P-C4'-P energy: -15.474
tors. eta vs tors. theta energy: -17.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -287.406820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.406820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.406820 (E_RNA)
where:
Base-Base interactions energy: -180.008
where: short stacking energy: -85.128
Base-Backbone interact. energy: 0.532
local terms energy: -107.930549
where:
bonds (distance) C4'-P energy: -22.806
bonds (distance) P-C4' energy: -20.852
flat angles C4'-P-C4' energy: -22.233
flat angles P-C4'-P energy: -14.357
tors. eta vs tors. theta energy: -27.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -270.473599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.473599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.473599 (E_RNA)
where:
Base-Base interactions energy: -181.365
where: short stacking energy: -95.152
Base-Backbone interact. energy: -0.653
local terms energy: -88.455834
where:
bonds (distance) C4'-P energy: -12.899
bonds (distance) P-C4' energy: -22.790
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: -15.486
tors. eta vs tors. theta energy: -22.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -264.039923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.039923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.039923 (E_RNA)
where:
Base-Base interactions energy: -168.224
where: short stacking energy: -78.496
Base-Backbone interact. energy: -0.148
local terms energy: -95.668198
where:
bonds (distance) C4'-P energy: -18.824
bonds (distance) P-C4' energy: -18.891
flat angles C4'-P-C4' energy: -18.779
flat angles P-C4'-P energy: -14.330
tors. eta vs tors. theta energy: -24.845
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: 6
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -197.981507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.981507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.981507 (E_RNA)
where:
Base-Base interactions energy: -123.448
where: short stacking energy: -63.073
Base-Backbone interact. energy: -0.262
local terms energy: -74.271863
where:
bonds (distance) C4'-P energy: -14.383
bonds (distance) P-C4' energy: -22.456
flat angles C4'-P-C4' energy: -16.983
flat angles P-C4'-P energy: -5.325
tors. eta vs tors. theta energy: -15.125
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: 9
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -248.020113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.020113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.020113 (E_RNA)
where:
Base-Base interactions energy: -167.227
where: short stacking energy: -69.590
Base-Backbone interact. energy: -1.198
local terms energy: -79.595675
where:
bonds (distance) C4'-P energy: -15.479
bonds (distance) P-C4' energy: -23.174
flat angles C4'-P-C4' energy: -17.940
flat angles P-C4'-P energy: -4.643
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: 9, replica: 3
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -222.574274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.574274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.574274 (E_RNA)
where:
Base-Base interactions energy: -134.813
where: short stacking energy: -61.078
Base-Backbone interact. energy: 1.540
local terms energy: -89.300793
where:
bonds (distance) C4'-P energy: -19.526
bonds (distance) P-C4' energy: -23.720
flat angles C4'-P-C4' energy: -18.241
flat angles P-C4'-P energy: -12.974
tors. eta vs tors. theta energy: -14.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -187.589605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.589605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.589605 (E_RNA)
where:
Base-Base interactions energy: -109.398
where: short stacking energy: -57.132
Base-Backbone interact. energy: -0.329
local terms energy: -77.862059
where:
bonds (distance) C4'-P energy: -20.332
bonds (distance) P-C4' energy: -17.704
flat angles C4'-P-C4' energy: -20.215
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: -9.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -335.801821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.801821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.801821 (E_RNA)
where:
Base-Base interactions energy: -219.595
where: short stacking energy: -105.505
Base-Backbone interact. energy: 0.227
local terms energy: -116.433352
where:
bonds (distance) C4'-P energy: -24.141
bonds (distance) P-C4' energy: -20.785
flat angles C4'-P-C4' energy: -27.180
flat angles P-C4'-P energy: -17.754
tors. eta vs tors. theta energy: -26.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -353.975187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.975187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.975187 (E_RNA)
where:
Base-Base interactions energy: -240.929
where: short stacking energy: -106.874
Base-Backbone interact. energy: -0.436
local terms energy: -112.610377
where:
bonds (distance) C4'-P energy: -22.668
bonds (distance) P-C4' energy: -25.682
flat angles C4'-P-C4' energy: -22.479
flat angles P-C4'-P energy: -11.594
tors. eta vs tors. theta energy: -30.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -309.439113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.439113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.439113 (E_RNA)
where:
Base-Base interactions energy: -206.989
where: short stacking energy: -89.829
Base-Backbone interact. energy: -0.693
local terms energy: -101.757115
where:
bonds (distance) C4'-P energy: -24.225
bonds (distance) P-C4' energy: -18.956
flat angles C4'-P-C4' energy: -20.057
flat angles P-C4'-P energy: -11.468
tors. eta vs tors. theta energy: -27.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -288.368802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.368802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.368802 (E_RNA)
where:
Base-Base interactions energy: -192.665
where: short stacking energy: -93.770
Base-Backbone interact. energy: -0.128
local terms energy: -95.576315
where:
bonds (distance) C4'-P energy: -17.885
bonds (distance) P-C4' energy: -21.367
flat angles C4'-P-C4' energy: -22.080
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -23.707
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: 1
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -275.894247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.894247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.894247 (E_RNA)
where:
Base-Base interactions energy: -176.871
where: short stacking energy: -83.065
Base-Backbone interact. energy: -0.130
local terms energy: -98.892889
where:
bonds (distance) C4'-P energy: -18.426
bonds (distance) P-C4' energy: -24.282
flat angles C4'-P-C4' energy: -18.199
flat angles P-C4'-P energy: -14.341
tors. eta vs tors. theta energy: -23.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -283.817634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.817634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.817634 (E_RNA)
where:
Base-Base interactions energy: -175.177
where: short stacking energy: -83.846
Base-Backbone interact. energy: -0.430
local terms energy: -108.210793
where:
bonds (distance) C4'-P energy: -24.251
bonds (distance) P-C4' energy: -23.013
flat angles C4'-P-C4' energy: -21.719
flat angles P-C4'-P energy: -13.604
tors. eta vs tors. theta energy: -25.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -207.800105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.800105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.800105 (E_RNA)
where:
Base-Base interactions energy: -122.368
where: short stacking energy: -47.955
Base-Backbone interact. energy: -0.497
local terms energy: -84.935381
where:
bonds (distance) C4'-P energy: -19.467
bonds (distance) P-C4' energy: -20.417
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -20.437
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: 8, replica: 3
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -263.663399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.663399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.663399 (E_RNA)
where:
Base-Base interactions energy: -164.946
where: short stacking energy: -79.988
Base-Backbone interact. energy: -0.249
local terms energy: -98.468665
where:
bonds (distance) C4'-P energy: -22.725
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -22.251
flat angles P-C4'-P energy: -13.586
tors. eta vs tors. theta energy: -21.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -251.960188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.960188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.960188 (E_RNA)
where:
Base-Base interactions energy: -168.716
where: short stacking energy: -71.915
Base-Backbone interact. energy: -0.116
local terms energy: -83.128759
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -18.609
flat angles C4'-P-C4' energy: -18.297
flat angles P-C4'-P energy: -14.853
tors. eta vs tors. theta energy: -15.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -195.803039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.803039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.803039 (E_RNA)
where:
Base-Base interactions energy: -109.532
where: short stacking energy: -47.353
Base-Backbone interact. energy: -1.166
local terms energy: -85.104319
where:
bonds (distance) C4'-P energy: -17.598
bonds (distance) P-C4' energy: -23.101
flat angles C4'-P-C4' energy: -21.265
flat angles P-C4'-P energy: -15.466
tors. eta vs tors. theta energy: -7.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -375.782479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.782479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.782479 (E_RNA)
where:
Base-Base interactions energy: -253.379
where: short stacking energy: -109.400
Base-Backbone interact. energy: -0.139
local terms energy: -122.264500
where:
bonds (distance) C4'-P energy: -22.646
bonds (distance) P-C4' energy: -24.169
flat angles C4'-P-C4' energy: -25.350
flat angles P-C4'-P energy: -14.459
tors. eta vs tors. theta energy: -35.641
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: 4
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -327.953801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.953801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.953801 (E_RNA)
where:
Base-Base interactions energy: -214.506
where: short stacking energy: -104.762
Base-Backbone interact. energy: -0.092
local terms energy: -113.356643
where:
bonds (distance) C4'-P energy: -21.295
bonds (distance) P-C4' energy: -25.082
flat angles C4'-P-C4' energy: -22.494
flat angles P-C4'-P energy: -17.236
tors. eta vs tors. theta energy: -27.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -342.438008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.438008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.438008 (E_RNA)
where:
Base-Base interactions energy: -232.407
where: short stacking energy: -105.012
Base-Backbone interact. energy: -0.082
local terms energy: -109.948927
where:
bonds (distance) C4'-P energy: -21.130
bonds (distance) P-C4' energy: -21.205
flat angles C4'-P-C4' energy: -21.749
flat angles P-C4'-P energy: -16.952
tors. eta vs tors. theta energy: -28.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -292.278916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.278916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.278916 (E_RNA)
where:
Base-Base interactions energy: -175.030
where: short stacking energy: -96.325
Base-Backbone interact. energy: -0.168
local terms energy: -117.081163
where:
bonds (distance) C4'-P energy: -23.757
bonds (distance) P-C4' energy: -23.009
flat angles C4'-P-C4' energy: -22.979
flat angles P-C4'-P energy: -17.756
tors. eta vs tors. theta energy: -29.581
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: 1
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -279.749042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.749042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.749042 (E_RNA)
where:
Base-Base interactions energy: -179.067
where: short stacking energy: -84.292
Base-Backbone interact. energy: -1.593
local terms energy: -99.089261
where:
bonds (distance) C4'-P energy: -16.423
bonds (distance) P-C4' energy: -21.770
flat angles C4'-P-C4' energy: -22.425
flat angles P-C4'-P energy: -15.286
tors. eta vs tors. theta energy: -23.186
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: 6, replica: 7
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -273.467902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.467902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.467902 (E_RNA)
where:
Base-Base interactions energy: -177.993
where: short stacking energy: -76.699
Base-Backbone interact. energy: 1.050
local terms energy: -96.525028
where:
bonds (distance) C4'-P energy: -19.183
bonds (distance) P-C4' energy: -21.637
flat angles C4'-P-C4' energy: -22.682
flat angles P-C4'-P energy: -15.747
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: 7, replica: 3
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -266.570636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.570636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.570636 (E_RNA)
where:
Base-Base interactions energy: -173.122
where: short stacking energy: -85.423
Base-Backbone interact. energy: -0.327
local terms energy: -93.121512
where:
bonds (distance) C4'-P energy: -16.825
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -16.825
flat angles P-C4'-P energy: -18.301
tors. eta vs tors. theta energy: -22.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -220.037706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.037706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.037706 (E_RNA)
where:
Base-Base interactions energy: -133.863
where: short stacking energy: -63.822
Base-Backbone interact. energy: -0.127
local terms energy: -86.047796
where:
bonds (distance) C4'-P energy: -17.112
bonds (distance) P-C4' energy: -27.156
flat angles C4'-P-C4' energy: -16.822
flat angles P-C4'-P energy: -11.509
tors. eta vs tors. theta energy: -13.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -197.948360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.948360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.948360 (E_RNA)
where:
Base-Base interactions energy: -120.556
where: short stacking energy: -65.591
Base-Backbone interact. energy: -0.175
local terms energy: -77.216902
where:
bonds (distance) C4'-P energy: -22.186
bonds (distance) P-C4' energy: -21.377
flat angles C4'-P-C4' energy: -17.798
flat angles P-C4'-P energy: -8.644
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: 10, replica: 9
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -198.738001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.738001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.738001 (E_RNA)
where:
Base-Base interactions energy: -123.172
where: short stacking energy: -52.951
Base-Backbone interact. energy: 0.373
local terms energy: -75.938982
where:
bonds (distance) C4'-P energy: -13.785
bonds (distance) P-C4' energy: -22.518
flat angles C4'-P-C4' energy: -9.162
flat angles P-C4'-P energy: -20.358
tors. eta vs tors. theta energy: -10.116
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: 5
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -368.288366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.288366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.288366 (E_RNA)
where:
Base-Base interactions energy: -249.819
where: short stacking energy: -116.369
Base-Backbone interact. energy: 0.005
local terms energy: -118.473974
where:
bonds (distance) C4'-P energy: -21.659
bonds (distance) P-C4' energy: -21.027
flat angles C4'-P-C4' energy: -27.615
flat angles P-C4'-P energy: -15.832
tors. eta vs tors. theta energy: -32.341
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: 10
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -342.745394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.745394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.745394 (E_RNA)
where:
Base-Base interactions energy: -221.237
where: short stacking energy: -107.222
Base-Backbone interact. energy: -0.693
local terms energy: -120.815386
where:
bonds (distance) C4'-P energy: -22.216
bonds (distance) P-C4' energy: -25.653
flat angles C4'-P-C4' energy: -28.038
flat angles P-C4'-P energy: -13.284
tors. eta vs tors. theta energy: -31.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -298.905637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.905637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.905637 (E_RNA)
where:
Base-Base interactions energy: -193.077
where: short stacking energy: -90.287
Base-Backbone interact. energy: -0.054
local terms energy: -105.774682
where:
bonds (distance) C4'-P energy: -21.759
bonds (distance) P-C4' energy: -18.424
flat angles C4'-P-C4' energy: -22.049
flat angles P-C4'-P energy: -19.582
tors. eta vs tors. theta energy: -23.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -278.057794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.057794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.057794 (E_RNA)
where:
Base-Base interactions energy: -181.191
where: short stacking energy: -83.107
Base-Backbone interact. energy: -0.019
local terms energy: -96.848208
where:
bonds (distance) C4'-P energy: -19.218
bonds (distance) P-C4' energy: -21.806
flat angles C4'-P-C4' energy: -24.362
flat angles P-C4'-P energy: -14.233
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: 8
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -280.730254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.730254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.730254 (E_RNA)
where:
Base-Base interactions energy: -167.352
where: short stacking energy: -86.490
Base-Backbone interact. energy: -0.778
local terms energy: -112.600510
where:
bonds (distance) C4'-P energy: -23.264
bonds (distance) P-C4' energy: -25.384
flat angles C4'-P-C4' energy: -25.976
flat angles P-C4'-P energy: -13.601
tors. eta vs tors. theta energy: -24.375
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: 7
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -281.902054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.902054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.902054 (E_RNA)
where:
Base-Base interactions energy: -182.656
where: short stacking energy: -73.354
Base-Backbone interact. energy: -0.508
local terms energy: -98.737896
where:
bonds (distance) C4'-P energy: -22.217
bonds (distance) P-C4' energy: -17.895
flat angles C4'-P-C4' energy: -20.819
flat angles P-C4'-P energy: -17.018
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: 7, replica: 3
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -287.592718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.592718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.592718 (E_RNA)
where:
Base-Base interactions energy: -195.327
where: short stacking energy: -80.996
Base-Backbone interact. energy: 0.478
local terms energy: -92.744165
where:
bonds (distance) C4'-P energy: -19.789
bonds (distance) P-C4' energy: -17.848
flat angles C4'-P-C4' energy: -19.755
flat angles P-C4'-P energy: -14.497
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: 8, replica: 6
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -212.416612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.416612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.416612 (E_RNA)
where:
Base-Base interactions energy: -131.123
where: short stacking energy: -64.351
Base-Backbone interact. energy: -0.227
local terms energy: -81.066550
where:
bonds (distance) C4'-P energy: -24.509
bonds (distance) P-C4' energy: -20.919
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: -9.729
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: 2
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -215.493714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.493714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.493714 (E_RNA)
where:
Base-Base interactions energy: -125.174
where: short stacking energy: -62.287
Base-Backbone interact. energy: -1.288
local terms energy: -89.031481
where:
bonds (distance) C4'-P energy: -21.183
bonds (distance) P-C4' energy: -24.201
flat angles C4'-P-C4' energy: -21.088
flat angles P-C4'-P energy: -14.167
tors. eta vs tors. theta energy: -8.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -210.787510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.787510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.787510 (E_RNA)
where:
Base-Base interactions energy: -130.595
where: short stacking energy: -59.988
Base-Backbone interact. energy: -0.250
local terms energy: -79.942250
where:
bonds (distance) C4'-P energy: -18.687
bonds (distance) P-C4' energy: -22.187
flat angles C4'-P-C4' energy: -21.909
flat angles P-C4'-P energy: -6.697
tors. eta vs tors. theta energy: -10.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -373.152983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.152983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.152983 (E_RNA)
where:
Base-Base interactions energy: -261.776
where: short stacking energy: -119.811
Base-Backbone interact. energy: 0.564
local terms energy: -111.941520
where:
bonds (distance) C4'-P energy: -19.411
bonds (distance) P-C4' energy: -20.453
flat angles C4'-P-C4' energy: -24.766
flat angles P-C4'-P energy: -15.230
tors. eta vs tors. theta energy: -32.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -312.309247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.309247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.309247 (E_RNA)
where:
Base-Base interactions energy: -211.099
where: short stacking energy: -81.528
Base-Backbone interact. energy: 0.062
local terms energy: -101.272117
where:
bonds (distance) C4'-P energy: -22.916
bonds (distance) P-C4' energy: -21.810
flat angles C4'-P-C4' energy: -23.777
flat angles P-C4'-P energy: -13.036
tors. eta vs tors. theta energy: -19.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -312.821959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.821959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.821959 (E_RNA)
where:
Base-Base interactions energy: -204.278
where: short stacking energy: -94.280
Base-Backbone interact. energy: -0.203
local terms energy: -108.340529
where:
bonds (distance) C4'-P energy: -22.371
bonds (distance) P-C4' energy: -21.974
flat angles C4'-P-C4' energy: -22.538
flat angles P-C4'-P energy: -17.079
tors. eta vs tors. theta energy: -24.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -282.701137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.701137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.701137 (E_RNA)
where:
Base-Base interactions energy: -182.727
where: short stacking energy: -82.569
Base-Backbone interact. energy: -0.109
local terms energy: -99.865141
where:
bonds (distance) C4'-P energy: -21.130
bonds (distance) P-C4' energy: -23.269
flat angles C4'-P-C4' energy: -21.404
flat angles P-C4'-P energy: -13.984
tors. eta vs tors. theta energy: -20.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -294.231638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.231638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.231638 (E_RNA)
where:
Base-Base interactions energy: -187.180
where: short stacking energy: -93.613
Base-Backbone interact. energy: -1.039
local terms energy: -106.011733
where:
bonds (distance) C4'-P energy: -22.272
bonds (distance) P-C4' energy: -19.858
flat angles C4'-P-C4' energy: -23.238
flat angles P-C4'-P energy: -16.014
tors. eta vs tors. theta energy: -24.631
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: 7
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -261.491901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.491901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.491901 (E_RNA)
where:
Base-Base interactions energy: -163.949
where: short stacking energy: -77.751
Base-Backbone interact. energy: -0.256
local terms energy: -97.286267
where:
bonds (distance) C4'-P energy: -24.296
bonds (distance) P-C4' energy: -21.113
flat angles C4'-P-C4' energy: -17.117
flat angles P-C4'-P energy: -12.665
tors. eta vs tors. theta energy: -22.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -219.501304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.501304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.501304 (E_RNA)
where:
Base-Base interactions energy: -125.770
where: short stacking energy: -74.078
Base-Backbone interact. energy: -1.016
local terms energy: -92.714438
where:
bonds (distance) C4'-P energy: -21.523
bonds (distance) P-C4' energy: -25.580
flat angles C4'-P-C4' energy: -18.541
flat angles P-C4'-P energy: -11.791
tors. eta vs tors. theta energy: -15.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -246.634545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.634545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.634545 (E_RNA)
where:
Base-Base interactions energy: -160.115
where: short stacking energy: -74.016
Base-Backbone interact. energy: 1.710
local terms energy: -88.229519
where:
bonds (distance) C4'-P energy: -21.129
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -19.826
flat angles P-C4'-P energy: -11.805
tors. eta vs tors. theta energy: -19.025
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: 9
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -200.821889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.821889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.821889 (E_RNA)
where:
Base-Base interactions energy: -122.402
where: short stacking energy: -55.362
Base-Backbone interact. energy: -0.354
local terms energy: -78.065762
where:
bonds (distance) C4'-P energy: -16.907
bonds (distance) P-C4' energy: -18.680
flat angles C4'-P-C4' energy: -17.202
flat angles P-C4'-P energy: -15.119
tors. eta vs tors. theta energy: -10.159
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: 2
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -202.744180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.744180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.744180 (E_RNA)
where:
Base-Base interactions energy: -125.384
where: short stacking energy: -61.992
Base-Backbone interact. energy: -0.077
local terms energy: -77.283757
where:
bonds (distance) C4'-P energy: -17.293
bonds (distance) P-C4' energy: -23.993
flat angles C4'-P-C4' energy: -13.038
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -13.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -367.685266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.685266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.685266 (E_RNA)
where:
Base-Base interactions energy: -256.197
where: short stacking energy: -110.677
Base-Backbone interact. energy: -0.063
local terms energy: -111.424906
where:
bonds (distance) C4'-P energy: -23.858
bonds (distance) P-C4' energy: -19.219
flat angles C4'-P-C4' energy: -21.930
flat angles P-C4'-P energy: -14.363
tors. eta vs tors. theta energy: -32.055
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: 10
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -328.854020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.854020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.854020 (E_RNA)
where:
Base-Base interactions energy: -221.558
where: short stacking energy: -101.124
Base-Backbone interact. energy: -0.303
local terms energy: -106.993062
where:
bonds (distance) C4'-P energy: -22.040
bonds (distance) P-C4' energy: -23.387
flat angles C4'-P-C4' energy: -21.231
flat angles P-C4'-P energy: -12.163
tors. eta vs tors. theta energy: -28.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -315.033515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.033515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.033515 (E_RNA)
where:
Base-Base interactions energy: -210.097
where: short stacking energy: -82.373
Base-Backbone interact. energy: -0.701
local terms energy: -104.235017
where:
bonds (distance) C4'-P energy: -20.220
bonds (distance) P-C4' energy: -20.376
flat angles C4'-P-C4' energy: -21.867
flat angles P-C4'-P energy: -20.137
tors. eta vs tors. theta energy: -21.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -293.465839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.465839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.465839 (E_RNA)
where:
Base-Base interactions energy: -189.298
where: short stacking energy: -91.689
Base-Backbone interact. energy: 0.059
local terms energy: -104.227152
where:
bonds (distance) C4'-P energy: -24.438
bonds (distance) P-C4' energy: -17.804
flat angles C4'-P-C4' energy: -26.162
flat angles P-C4'-P energy: -13.879
tors. eta vs tors. theta energy: -21.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -267.247733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.247733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.247733 (E_RNA)
where:
Base-Base interactions energy: -177.252
where: short stacking energy: -73.692
Base-Backbone interact. energy: -0.366
local terms energy: -89.629011
where:
bonds (distance) C4'-P energy: -22.260
bonds (distance) P-C4' energy: -16.987
flat angles C4'-P-C4' energy: -18.851
flat angles P-C4'-P energy: -12.370
tors. eta vs tors. theta energy: -19.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -223.384046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.384046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.384046 (E_RNA)
where:
Base-Base interactions energy: -132.769
where: short stacking energy: -64.572
Base-Backbone interact. energy: -1.117
local terms energy: -89.497969
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -26.938
flat angles C4'-P-C4' energy: -21.768
flat angles P-C4'-P energy: -16.970
tors. eta vs tors. theta energy: -11.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -272.854141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.854141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.854141 (E_RNA)
where:
Base-Base interactions energy: -168.961
where: short stacking energy: -79.864
Base-Backbone interact. energy: -0.315
local terms energy: -103.578371
where:
bonds (distance) C4'-P energy: -20.865
bonds (distance) P-C4' energy: -21.538
flat angles C4'-P-C4' energy: -19.473
flat angles P-C4'-P energy: -19.289
tors. eta vs tors. theta energy: -22.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -248.508233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.508233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.508233 (E_RNA)
where:
Base-Base interactions energy: -160.063
where: short stacking energy: -75.421
Base-Backbone interact. energy: -0.045
local terms energy: -88.400391
where:
bonds (distance) C4'-P energy: -17.242
bonds (distance) P-C4' energy: -12.766
flat angles C4'-P-C4' energy: -17.480
flat angles P-C4'-P energy: -15.536
tors. eta vs tors. theta energy: -25.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -230.581370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.581370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.581370 (E_RNA)
where:
Base-Base interactions energy: -153.803
where: short stacking energy: -71.286
Base-Backbone interact. energy: -0.487
local terms energy: -76.291740
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -21.007
flat angles C4'-P-C4' energy: -16.188
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -15.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -184.699258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.699258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.699258 (E_RNA)
where:
Base-Base interactions energy: -109.868
where: short stacking energy: -57.106
Base-Backbone interact. energy: -0.704
local terms energy: -74.127145
where:
bonds (distance) C4'-P energy: -20.963
bonds (distance) P-C4' energy: -21.982
flat angles C4'-P-C4' energy: -18.925
flat angles P-C4'-P energy: -1.594
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: 1, replica: 5
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -371.180404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.180404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.180404 (E_RNA)
where:
Base-Base interactions energy: -248.014
where: short stacking energy: -102.640
Base-Backbone interact. energy: -0.038
local terms energy: -123.128603
where:
bonds (distance) C4'-P energy: -21.172
bonds (distance) P-C4' energy: -27.366
flat angles C4'-P-C4' energy: -22.949
flat angles P-C4'-P energy: -18.901
tors. eta vs tors. theta energy: -32.741
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: 10
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -335.134962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.134962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.134962 (E_RNA)
where:
Base-Base interactions energy: -231.375
where: short stacking energy: -102.514
Base-Backbone interact. energy: -0.154
local terms energy: -103.605826
where:
bonds (distance) C4'-P energy: -20.454
bonds (distance) P-C4' energy: -18.092
flat angles C4'-P-C4' energy: -22.529
flat angles P-C4'-P energy: -14.944
tors. eta vs tors. theta energy: -27.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -308.503089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.503089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.503089 (E_RNA)
where:
Base-Base interactions energy: -208.647
where: short stacking energy: -83.152
Base-Backbone interact. energy: 0.821
local terms energy: -100.676714
where:
bonds (distance) C4'-P energy: -13.222
bonds (distance) P-C4' energy: -26.417
flat angles C4'-P-C4' energy: -18.001
flat angles P-C4'-P energy: -20.759
tors. eta vs tors. theta energy: -22.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -293.207579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.207579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.207579 (E_RNA)
where:
Base-Base interactions energy: -194.866
where: short stacking energy: -82.613
Base-Backbone interact. energy: -0.321
local terms energy: -98.020194
where:
bonds (distance) C4'-P energy: -18.719
bonds (distance) P-C4' energy: -14.674
flat angles C4'-P-C4' energy: -24.564
flat angles P-C4'-P energy: -19.391
tors. eta vs tors. theta energy: -20.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -285.426933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.426933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.426933 (E_RNA)
where:
Base-Base interactions energy: -189.737
where: short stacking energy: -93.302
Base-Backbone interact. energy: -0.955
local terms energy: -94.735227
where:
bonds (distance) C4'-P energy: -21.650
bonds (distance) P-C4' energy: -17.373
flat angles C4'-P-C4' energy: -17.626
flat angles P-C4'-P energy: -15.116
tors. eta vs tors. theta energy: -22.971
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: 6, replica: 6
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -259.433962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.433962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.433962 (E_RNA)
where:
Base-Base interactions energy: -167.590
where: short stacking energy: -81.545
Base-Backbone interact. energy: -0.863
local terms energy: -90.980736
where:
bonds (distance) C4'-P energy: -18.230
bonds (distance) P-C4' energy: -24.796
flat angles C4'-P-C4' energy: -22.363
flat angles P-C4'-P energy: -8.008
tors. eta vs tors. theta energy: -17.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -269.323938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.323938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.323938 (E_RNA)
where:
Base-Base interactions energy: -169.145
where: short stacking energy: -78.257
Base-Backbone interact. energy: -0.111
local terms energy: -100.067927
where:
bonds (distance) C4'-P energy: -21.546
bonds (distance) P-C4' energy: -22.049
flat angles C4'-P-C4' energy: -17.519
flat angles P-C4'-P energy: -15.085
tors. eta vs tors. theta energy: -23.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -224.057456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.057456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.057456 (E_RNA)
where:
Base-Base interactions energy: -139.782
where: short stacking energy: -63.525
Base-Backbone interact. energy: -0.003
local terms energy: -84.272602
where:
bonds (distance) C4'-P energy: -16.762
bonds (distance) P-C4' energy: -23.571
flat angles C4'-P-C4' energy: -23.287
flat angles P-C4'-P energy: -6.597
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: 9, replica: 2
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -179.831556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.831556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.831556 (E_RNA)
where:
Base-Base interactions energy: -114.058
where: short stacking energy: -46.380
Base-Backbone interact. energy: 0.048
local terms energy: -65.821205
where:
bonds (distance) C4'-P energy: -15.449
bonds (distance) P-C4' energy: -17.404
flat angles C4'-P-C4' energy: -18.477
flat angles P-C4'-P energy: -14.373
tors. eta vs tors. theta energy: -0.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -213.116622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.116622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.116622 (E_RNA)
where:
Base-Base interactions energy: -129.086
where: short stacking energy: -63.646
Base-Backbone interact. energy: -0.174
local terms energy: -83.856926
where:
bonds (distance) C4'-P energy: -18.485
bonds (distance) P-C4' energy: -13.675
flat angles C4'-P-C4' energy: -22.822
flat angles P-C4'-P energy: -10.007
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: 1, replica: 5
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -374.952352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.952352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.952352 (E_RNA)
where:
Base-Base interactions energy: -252.361
where: short stacking energy: -112.085
Base-Backbone interact. energy: -0.034
local terms energy: -122.557406
where:
bonds (distance) C4'-P energy: -20.994
bonds (distance) P-C4' energy: -23.606
flat angles C4'-P-C4' energy: -24.326
flat angles P-C4'-P energy: -19.004
tors. eta vs tors. theta energy: -34.627
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: 4
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -311.814277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.814277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.814277 (E_RNA)
where:
Base-Base interactions energy: -204.151
where: short stacking energy: -84.716
Base-Backbone interact. energy: -0.248
local terms energy: -107.415266
where:
bonds (distance) C4'-P energy: -25.490
bonds (distance) P-C4' energy: -18.771
flat angles C4'-P-C4' energy: -24.820
flat angles P-C4'-P energy: -17.402
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: 3, replica: 10
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -299.147705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.147705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.147705 (E_RNA)
where:
Base-Base interactions energy: -195.194
where: short stacking energy: -80.047
Base-Backbone interact. energy: 0.116
local terms energy: -104.070139
where:
bonds (distance) C4'-P energy: -19.959
bonds (distance) P-C4' energy: -23.481
flat angles C4'-P-C4' energy: -22.739
flat angles P-C4'-P energy: -17.393
tors. eta vs tors. theta energy: -20.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -287.753462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.753462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.753462 (E_RNA)
where:
Base-Base interactions energy: -181.528
where: short stacking energy: -78.785
Base-Backbone interact. energy: -0.201
local terms energy: -106.025007
where:
bonds (distance) C4'-P energy: -16.668
bonds (distance) P-C4' energy: -25.463
flat angles C4'-P-C4' energy: -26.336
flat angles P-C4'-P energy: -19.074
tors. eta vs tors. theta energy: -18.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -274.541834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.541834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.541834 (E_RNA)
where:
Base-Base interactions energy: -186.394
where: short stacking energy: -72.006
Base-Backbone interact. energy: 0.197
local terms energy: -88.345306
where:
bonds (distance) C4'-P energy: -25.161
bonds (distance) P-C4' energy: -23.511
flat angles C4'-P-C4' energy: -16.368
flat angles P-C4'-P energy: -11.679
tors. eta vs tors. theta energy: -11.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -271.842453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.842453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.842453 (E_RNA)
where:
Base-Base interactions energy: -185.952
where: short stacking energy: -76.667
Base-Backbone interact. energy: -0.730
local terms energy: -85.159848
where:
bonds (distance) C4'-P energy: -19.386
bonds (distance) P-C4' energy: -15.392
flat angles C4'-P-C4' energy: -21.397
flat angles P-C4'-P energy: -10.682
tors. eta vs tors. theta energy: -18.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -266.079833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.079833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.079833 (E_RNA)
where:
Base-Base interactions energy: -177.177
where: short stacking energy: -83.233
Base-Backbone interact. energy: -0.226
local terms energy: -88.676434
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -22.427
flat angles C4'-P-C4' energy: -21.720
flat angles P-C4'-P energy: -12.208
tors. eta vs tors. theta energy: -17.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -252.785620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.785620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.785620 (E_RNA)
where:
Base-Base interactions energy: -166.379
where: short stacking energy: -75.968
Base-Backbone interact. energy: -0.507
local terms energy: -85.899410
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -18.734
flat angles C4'-P-C4' energy: -17.990
flat angles P-C4'-P energy: -13.467
tors. eta vs tors. theta energy: -19.999
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: 9, replica: 3
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -213.175249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.175249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.175249 (E_RNA)
where:
Base-Base interactions energy: -130.074
where: short stacking energy: -50.110
Base-Backbone interact. energy: -0.384
local terms energy: -82.717538
where:
bonds (distance) C4'-P energy: -26.172
bonds (distance) P-C4' energy: -23.517
flat angles C4'-P-C4' energy: -18.473
flat angles P-C4'-P energy: -9.292
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: 10, replica: 9
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -191.438268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.438268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.438268 (E_RNA)
where:
Base-Base interactions energy: -122.958
where: short stacking energy: -43.991
Base-Backbone interact. energy: -1.471
local terms energy: -67.009761
where:
bonds (distance) C4'-P energy: -20.100
bonds (distance) P-C4' energy: -19.207
flat angles C4'-P-C4' energy: -11.823
flat angles P-C4'-P energy: -8.152
tors. eta vs tors. theta energy: -7.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -366.810369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.810369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.810369 (E_RNA)
where:
Base-Base interactions energy: -240.019
where: short stacking energy: -110.101
Base-Backbone interact. energy: -0.066
local terms energy: -126.725365
where:
bonds (distance) C4'-P energy: -21.131
bonds (distance) P-C4' energy: -25.322
flat angles C4'-P-C4' energy: -23.987
flat angles P-C4'-P energy: -19.281
tors. eta vs tors. theta energy: -37.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -314.698465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.698465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.698465 (E_RNA)
where:
Base-Base interactions energy: -216.223
where: short stacking energy: -103.050
Base-Backbone interact. energy: -0.087
local terms energy: -98.388282
where:
bonds (distance) C4'-P energy: -21.413
bonds (distance) P-C4' energy: -21.471
flat angles C4'-P-C4' energy: -20.148
flat angles P-C4'-P energy: -16.130
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: 3, replica: 10
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -309.564220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.564220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.564220 (E_RNA)
where:
Base-Base interactions energy: -219.742
where: short stacking energy: -94.557
Base-Backbone interact. energy: 2.074
local terms energy: -91.895508
where:
bonds (distance) C4'-P energy: -21.080
bonds (distance) P-C4' energy: -19.200
flat angles C4'-P-C4' energy: -18.313
flat angles P-C4'-P energy: -11.668
tors. eta vs tors. theta energy: -21.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -292.196018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.196018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.196018 (E_RNA)
where:
Base-Base interactions energy: -186.361
where: short stacking energy: -86.116
Base-Backbone interact. energy: -0.340
local terms energy: -105.494797
where:
bonds (distance) C4'-P energy: -21.047
bonds (distance) P-C4' energy: -17.568
flat angles C4'-P-C4' energy: -23.932
flat angles P-C4'-P energy: -16.193
tors. eta vs tors. theta energy: -26.754
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: 128
Temperature: 1.100000
Total energy: -285.816101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.816101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.816101 (E_RNA)
where:
Base-Base interactions energy: -190.503
where: short stacking energy: -88.429
Base-Backbone interact. energy: -0.353
local terms energy: -94.959821
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -20.381
flat angles C4'-P-C4' energy: -22.700
flat angles P-C4'-P energy: -17.279
tors. eta vs tors. theta energy: -19.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -255.900938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.900938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.900938 (E_RNA)
where:
Base-Base interactions energy: -156.882
where: short stacking energy: -67.620
Base-Backbone interact. energy: -0.880
local terms energy: -98.138899
where:
bonds (distance) C4'-P energy: -23.246
bonds (distance) P-C4' energy: -18.985
flat angles C4'-P-C4' energy: -24.798
flat angles P-C4'-P energy: -14.442
tors. eta vs tors. theta energy: -16.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -257.014592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.014592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.014592 (E_RNA)
where:
Base-Base interactions energy: -159.756
where: short stacking energy: -69.494
Base-Backbone interact. energy: 2.347
local terms energy: -99.604809
where:
bonds (distance) C4'-P energy: -18.891
bonds (distance) P-C4' energy: -19.315
flat angles C4'-P-C4' energy: -22.434
flat angles P-C4'-P energy: -18.153
tors. eta vs tors. theta energy: -20.811
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: 2
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -254.849419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.849419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.849419 (E_RNA)
where:
Base-Base interactions energy: -161.816
where: short stacking energy: -77.826
Base-Backbone interact. energy: -0.122
local terms energy: -92.911613
where:
bonds (distance) C4'-P energy: -18.427
bonds (distance) P-C4' energy: -23.598
flat angles C4'-P-C4' energy: -21.496
flat angles P-C4'-P energy: -12.840
tors. eta vs tors. theta energy: -16.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -213.609327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.609327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.609327 (E_RNA)
where:
Base-Base interactions energy: -119.892
where: short stacking energy: -64.563
Base-Backbone interact. energy: -0.095
local terms energy: -93.622514
where:
bonds (distance) C4'-P energy: -22.015
bonds (distance) P-C4' energy: -17.353
flat angles C4'-P-C4' energy: -22.315
flat angles P-C4'-P energy: -15.256
tors. eta vs tors. theta energy: -16.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -208.918636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.918636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.918636 (E_RNA)
where:
Base-Base interactions energy: -129.076
where: short stacking energy: -63.109
Base-Backbone interact. energy: 0.455
local terms energy: -80.297283
where:
bonds (distance) C4'-P energy: -17.992
bonds (distance) P-C4' energy: -18.425
flat angles C4'-P-C4' energy: -24.599
flat angles P-C4'-P energy: -11.910
tors. eta vs tors. theta energy: -7.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -366.787292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.787292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.787292 (E_RNA)
where:
Base-Base interactions energy: -245.227
where: short stacking energy: -107.606
Base-Backbone interact. energy: -0.065
local terms energy: -121.495347
where:
bonds (distance) C4'-P energy: -24.120
bonds (distance) P-C4' energy: -25.096
flat angles C4'-P-C4' energy: -25.851
flat angles P-C4'-P energy: -15.848
tors. eta vs tors. theta energy: -30.581
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: 10
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -314.070113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.070113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.070113 (E_RNA)
where:
Base-Base interactions energy: -198.069
where: short stacking energy: -99.454
Base-Backbone interact. energy: -0.122
local terms energy: -115.879483
where:
bonds (distance) C4'-P energy: -22.570
bonds (distance) P-C4' energy: -20.727
flat angles C4'-P-C4' energy: -26.908
flat angles P-C4'-P energy: -19.670
tors. eta vs tors. theta energy: -26.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -309.961470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.961470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.961470 (E_RNA)
where:
Base-Base interactions energy: -200.301
where: short stacking energy: -101.528
Base-Backbone interact. energy: -1.154
local terms energy: -108.506346
where:
bonds (distance) C4'-P energy: -18.129
bonds (distance) P-C4' energy: -21.701
flat angles C4'-P-C4' energy: -19.541
flat angles P-C4'-P energy: -17.914
tors. eta vs tors. theta energy: -31.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -312.312469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.312469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.312469 (E_RNA)
where:
Base-Base interactions energy: -200.437
where: short stacking energy: -85.824
Base-Backbone interact. energy: -0.257
local terms energy: -111.618289
where:
bonds (distance) C4'-P energy: -23.922
bonds (distance) P-C4' energy: -25.772
flat angles C4'-P-C4' energy: -22.701
flat angles P-C4'-P energy: -12.552
tors. eta vs tors. theta energy: -26.672
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: 1
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -283.552902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.552902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.552902 (E_RNA)
where:
Base-Base interactions energy: -179.523
where: short stacking energy: -77.208
Base-Backbone interact. energy: -0.308
local terms energy: -103.722613
where:
bonds (distance) C4'-P energy: -21.269
bonds (distance) P-C4' energy: -22.814
flat angles C4'-P-C4' energy: -23.266
flat angles P-C4'-P energy: -17.381
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: 6, replica: 6
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -261.211838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.211838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.211838 (E_RNA)
where:
Base-Base interactions energy: -167.926
where: short stacking energy: -90.010
Base-Backbone interact. energy: 0.386
local terms energy: -93.671715
where:
bonds (distance) C4'-P energy: -22.592
bonds (distance) P-C4' energy: -19.919
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -17.639
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: 7
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -264.735947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.735947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.735947 (E_RNA)
where:
Base-Base interactions energy: -168.905
where: short stacking energy: -77.355
Base-Backbone interact. energy: -0.404
local terms energy: -95.427499
where:
bonds (distance) C4'-P energy: -22.771
bonds (distance) P-C4' energy: -18.391
flat angles C4'-P-C4' energy: -19.906
flat angles P-C4'-P energy: -14.137
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: 8, replica: 2
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -223.530691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.530691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.530691 (E_RNA)
where:
Base-Base interactions energy: -142.580
where: short stacking energy: -72.549
Base-Backbone interact. energy: 2.486
local terms energy: -83.436469
where:
bonds (distance) C4'-P energy: -20.002
bonds (distance) P-C4' energy: -17.557
flat angles C4'-P-C4' energy: -16.327
flat angles P-C4'-P energy: -14.331
tors. eta vs tors. theta energy: -15.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -257.602859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.602859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.602859 (E_RNA)
where:
Base-Base interactions energy: -170.818
where: short stacking energy: -72.275
Base-Backbone interact. energy: -0.095
local terms energy: -86.689911
where:
bonds (distance) C4'-P energy: -15.468
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -21.674
flat angles P-C4'-P energy: -11.968
tors. eta vs tors. theta energy: -22.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -163.815811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.815811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.815811 (E_RNA)
where:
Base-Base interactions energy: -95.308
where: short stacking energy: -46.376
Base-Backbone interact. energy: -0.533
local terms energy: -67.975293
where:
bonds (distance) C4'-P energy: -19.818
bonds (distance) P-C4' energy: -18.164
flat angles C4'-P-C4' energy: -21.947
flat angles P-C4'-P energy: -7.270
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: 1, replica: 5
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -369.939586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.939586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.939586 (E_RNA)
where:
Base-Base interactions energy: -247.515
where: short stacking energy: -103.931
Base-Backbone interact. energy: -0.042
local terms energy: -122.382624
where:
bonds (distance) C4'-P energy: -26.226
bonds (distance) P-C4' energy: -22.027
flat angles C4'-P-C4' energy: -23.707
flat angles P-C4'-P energy: -16.933
tors. eta vs tors. theta energy: -33.490
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: 10
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -341.248847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.248847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.248847 (E_RNA)
where:
Base-Base interactions energy: -233.068
where: short stacking energy: -91.757
Base-Backbone interact. energy: -0.102
local terms energy: -108.079043
where:
bonds (distance) C4'-P energy: -24.045
bonds (distance) P-C4' energy: -18.731
flat angles C4'-P-C4' energy: -22.245
flat angles P-C4'-P energy: -18.954
tors. eta vs tors. theta energy: -24.104
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: 4
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -302.378243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.378243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.378243 (E_RNA)
where:
Base-Base interactions energy: -201.204
where: short stacking energy: -88.910
Base-Backbone interact. energy: -1.250
local terms energy: -99.923797
where:
bonds (distance) C4'-P energy: -21.858
bonds (distance) P-C4' energy: -20.332
flat angles C4'-P-C4' energy: -21.375
flat angles P-C4'-P energy: -12.271
tors. eta vs tors. theta energy: -24.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -294.139889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.139889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.139889 (E_RNA)
where:
Base-Base interactions energy: -193.869
where: short stacking energy: -86.985
Base-Backbone interact. energy: 0.295
local terms energy: -100.565503
where:
bonds (distance) C4'-P energy: -21.077
bonds (distance) P-C4' energy: -18.318
flat angles C4'-P-C4' energy: -24.686
flat angles P-C4'-P energy: -15.198
tors. eta vs tors. theta energy: -21.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -279.123833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.123833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.123833 (E_RNA)
where:
Base-Base interactions energy: -180.782
where: short stacking energy: -89.028
Base-Backbone interact. energy: -0.187
local terms energy: -98.154616
where:
bonds (distance) C4'-P energy: -19.964
bonds (distance) P-C4' energy: -23.640
flat angles C4'-P-C4' energy: -21.809
flat angles P-C4'-P energy: -16.356
tors. eta vs tors. theta energy: -16.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -264.236673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.236673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.236673 (E_RNA)
where:
Base-Base interactions energy: -165.591
where: short stacking energy: -88.416
Base-Backbone interact. energy: -0.211
local terms energy: -98.433793
where:
bonds (distance) C4'-P energy: -22.880
bonds (distance) P-C4' energy: -20.185
flat angles C4'-P-C4' energy: -21.562
flat angles P-C4'-P energy: -17.319
tors. eta vs tors. theta energy: -16.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -256.865039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.865039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.865039 (E_RNA)
where:
Base-Base interactions energy: -175.850
where: short stacking energy: -84.610
Base-Backbone interact. energy: 2.247
local terms energy: -83.261833
where:
bonds (distance) C4'-P energy: -12.290
bonds (distance) P-C4' energy: -18.180
flat angles C4'-P-C4' energy: -21.482
flat angles P-C4'-P energy: -13.686
tors. eta vs tors. theta energy: -17.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -241.820127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.820127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.820127 (E_RNA)
where:
Base-Base interactions energy: -145.719
where: short stacking energy: -79.577
Base-Backbone interact. energy: -0.289
local terms energy: -95.811876
where:
bonds (distance) C4'-P energy: -22.630
bonds (distance) P-C4' energy: -18.698
flat angles C4'-P-C4' energy: -22.998
flat angles P-C4'-P energy: -14.286
tors. eta vs tors. theta energy: -17.200
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: 9, replica: 9
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -247.443599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.443599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.443599 (E_RNA)
where:
Base-Base interactions energy: -168.089
where: short stacking energy: -63.689
Base-Backbone interact. energy: -0.370
local terms energy: -78.983839
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -20.331
flat angles C4'-P-C4' energy: -16.616
flat angles P-C4'-P energy: -14.120
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: 10, replica: 3
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -181.140791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.140791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.140791 (E_RNA)
where:
Base-Base interactions energy: -111.304
where: short stacking energy: -55.142
Base-Backbone interact. energy: -0.536
local terms energy: -69.300803
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -18.390
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -13.443
tors. eta vs tors. theta energy: -7.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -369.307207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.307207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.307207 (E_RNA)
where:
Base-Base interactions energy: -248.458
where: short stacking energy: -113.268
Base-Backbone interact. energy: -0.004
local terms energy: -120.845568
where:
bonds (distance) C4'-P energy: -19.921
bonds (distance) P-C4' energy: -24.897
flat angles C4'-P-C4' energy: -26.811
flat angles P-C4'-P energy: -16.485
tors. eta vs tors. theta energy: -32.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -335.462971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.462971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.462971 (E_RNA)
where:
Base-Base interactions energy: -230.385
where: short stacking energy: -102.047
Base-Backbone interact. energy: -1.076
local terms energy: -104.001738
where:
bonds (distance) C4'-P energy: -22.672
bonds (distance) P-C4' energy: -16.559
flat angles C4'-P-C4' energy: -23.347
flat angles P-C4'-P energy: -13.240
tors. eta vs tors. theta energy: -28.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -309.605326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.605326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.605326 (E_RNA)
where:
Base-Base interactions energy: -197.965
where: short stacking energy: -97.266
Base-Backbone interact. energy: -0.263
local terms energy: -111.377539
where:
bonds (distance) C4'-P energy: -25.566
bonds (distance) P-C4' energy: -23.208
flat angles C4'-P-C4' energy: -21.756
flat angles P-C4'-P energy: -16.043
tors. eta vs tors. theta energy: -24.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -293.876343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.876343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.876343 (E_RNA)
where:
Base-Base interactions energy: -195.143
where: short stacking energy: -82.285
Base-Backbone interact. energy: -0.489
local terms energy: -98.244357
where:
bonds (distance) C4'-P energy: -22.578
bonds (distance) P-C4' energy: -21.265
flat angles C4'-P-C4' energy: -24.164
flat angles P-C4'-P energy: -12.897
tors. eta vs tors. theta energy: -17.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -284.864432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.864432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.864432 (E_RNA)
where:
Base-Base interactions energy: -179.728
where: short stacking energy: -90.834
Base-Backbone interact. energy: -0.048
local terms energy: -105.088737
where:
bonds (distance) C4'-P energy: -24.572
bonds (distance) P-C4' energy: -19.817
flat angles C4'-P-C4' energy: -23.246
flat angles P-C4'-P energy: -11.845
tors. eta vs tors. theta energy: -25.609
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: 6, replica: 2
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -273.358487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.358487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.358487 (E_RNA)
where:
Base-Base interactions energy: -181.945
where: short stacking energy: -79.778
Base-Backbone interact. energy: -0.334
local terms energy: -91.079459
where:
bonds (distance) C4'-P energy: -25.176
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -13.069
tors. eta vs tors. theta energy: -22.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -245.184253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.184253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.184253 (E_RNA)
where:
Base-Base interactions energy: -156.156
where: short stacking energy: -60.224
Base-Backbone interact. energy: -0.312
local terms energy: -88.716539
where:
bonds (distance) C4'-P energy: -22.764
bonds (distance) P-C4' energy: -18.360
flat angles C4'-P-C4' energy: -16.257
flat angles P-C4'-P energy: -13.666
tors. eta vs tors. theta energy: -17.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -243.712519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.712519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.712519 (E_RNA)
where:
Base-Base interactions energy: -163.122
where: short stacking energy: -69.470
Base-Backbone interact. energy: -1.142
local terms energy: -79.448267
where:
bonds (distance) C4'-P energy: -21.501
bonds (distance) P-C4' energy: -21.179
flat angles C4'-P-C4' energy: -17.736
flat angles P-C4'-P energy: -6.387
tors. eta vs tors. theta energy: -12.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -241.940376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.940376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.940376 (E_RNA)
where:
Base-Base interactions energy: -144.562
where: short stacking energy: -70.588
Base-Backbone interact. energy: -0.199
local terms energy: -97.179584
where:
bonds (distance) C4'-P energy: -20.525
bonds (distance) P-C4' energy: -20.051
flat angles C4'-P-C4' energy: -21.873
flat angles P-C4'-P energy: -14.128
tors. eta vs tors. theta energy: -20.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -192.905628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.905628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.905628 (E_RNA)
where:
Base-Base interactions energy: -121.763
where: short stacking energy: -61.219
Base-Backbone interact. energy: 3.653
local terms energy: -74.795652
where:
bonds (distance) C4'-P energy: -20.513
bonds (distance) P-C4' energy: -17.620
flat angles C4'-P-C4' energy: -21.813
flat angles P-C4'-P energy: -6.757
tors. eta vs tors. theta energy: -8.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -370.007348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.007348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.007348 (E_RNA)
where:
Base-Base interactions energy: -243.166
where: short stacking energy: -112.939
Base-Backbone interact. energy: -0.026
local terms energy: -126.814980
where:
bonds (distance) C4'-P energy: -24.971
bonds (distance) P-C4' energy: -23.729
flat angles C4'-P-C4' energy: -27.296
flat angles P-C4'-P energy: -16.545
tors. eta vs tors. theta energy: -34.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -348.828524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.828524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.828524 (E_RNA)
where:
Base-Base interactions energy: -238.788
where: short stacking energy: -98.904
Base-Backbone interact. energy: -0.166
local terms energy: -109.874131
where:
bonds (distance) C4'-P energy: -24.218
bonds (distance) P-C4' energy: -20.291
flat angles C4'-P-C4' energy: -25.019
flat angles P-C4'-P energy: -16.005
tors. eta vs tors. theta energy: -24.342
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: 8
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -294.843792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.843792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.843792 (E_RNA)
where:
Base-Base interactions energy: -185.626
where: short stacking energy: -100.964
Base-Backbone interact. energy: -0.522
local terms energy: -108.695995
where:
bonds (distance) C4'-P energy: -20.686
bonds (distance) P-C4' energy: -24.257
flat angles C4'-P-C4' energy: -21.203
flat angles P-C4'-P energy: -12.829
tors. eta vs tors. theta energy: -29.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -295.749325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.749325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.749325 (E_RNA)
where:
Base-Base interactions energy: -191.582
where: short stacking energy: -89.549
Base-Backbone interact. energy: -1.004
local terms energy: -103.162737
where:
bonds (distance) C4'-P energy: -20.323
bonds (distance) P-C4' energy: -21.862
flat angles C4'-P-C4' energy: -23.159
flat angles P-C4'-P energy: -17.567
tors. eta vs tors. theta energy: -20.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -267.557268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.557268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.557268 (E_RNA)
where:
Base-Base interactions energy: -181.103
where: short stacking energy: -85.408
Base-Backbone interact. energy: 0.407
local terms energy: -86.861372
where:
bonds (distance) C4'-P energy: -19.486
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -14.865
tors. eta vs tors. theta energy: -21.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -267.539091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.539091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.539091 (E_RNA)
where:
Base-Base interactions energy: -168.207
where: short stacking energy: -73.716
Base-Backbone interact. energy: -0.145
local terms energy: -99.187877
where:
bonds (distance) C4'-P energy: -23.054
bonds (distance) P-C4' energy: -19.155
flat angles C4'-P-C4' energy: -22.360
flat angles P-C4'-P energy: -17.627
tors. eta vs tors. theta energy: -16.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -260.029856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.029856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.029856 (E_RNA)
where:
Base-Base interactions energy: -157.269
where: short stacking energy: -75.943
Base-Backbone interact. energy: -0.173
local terms energy: -102.587227
where:
bonds (distance) C4'-P energy: -18.588
bonds (distance) P-C4' energy: -28.204
flat angles C4'-P-C4' energy: -21.947
flat angles P-C4'-P energy: -18.208
tors. eta vs tors. theta energy: -15.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -252.131624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.131624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.131624 (E_RNA)
where:
Base-Base interactions energy: -170.350
where: short stacking energy: -67.689
Base-Backbone interact. energy: 0.051
local terms energy: -81.832652
where:
bonds (distance) C4'-P energy: -15.339
bonds (distance) P-C4' energy: -21.352
flat angles C4'-P-C4' energy: -14.647
flat angles P-C4'-P energy: -12.349
tors. eta vs tors. theta energy: -18.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -239.598464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.598464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.598464 (E_RNA)
where:
Base-Base interactions energy: -155.188
where: short stacking energy: -73.786
Base-Backbone interact. energy: 3.102
local terms energy: -87.513146
where:
bonds (distance) C4'-P energy: -23.274
bonds (distance) P-C4' energy: -19.697
flat angles C4'-P-C4' energy: -21.749
flat angles P-C4'-P energy: -9.062
tors. eta vs tors. theta energy: -13.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -192.383296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.383296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.383296 (E_RNA)
where:
Base-Base interactions energy: -122.558
where: short stacking energy: -57.095
Base-Backbone interact. energy: 0.509
local terms energy: -70.333900
where:
bonds (distance) C4'-P energy: -13.881
bonds (distance) P-C4' energy: -16.263
flat angles C4'-P-C4' energy: -17.348
flat angles P-C4'-P energy: -16.242
tors. eta vs tors. theta energy: -6.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -368.078643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.078643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.078643 (E_RNA)
where:
Base-Base interactions energy: -241.289
where: short stacking energy: -121.773
Base-Backbone interact. energy: -0.651
local terms energy: -126.139127
where:
bonds (distance) C4'-P energy: -21.241
bonds (distance) P-C4' energy: -25.660
flat angles C4'-P-C4' energy: -25.540
flat angles P-C4'-P energy: -18.242
tors. eta vs tors. theta energy: -35.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -342.581939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.581939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.581939 (E_RNA)
where:
Base-Base interactions energy: -233.621
where: short stacking energy: -92.849
Base-Backbone interact. energy: -1.126
local terms energy: -107.835217
where:
bonds (distance) C4'-P energy: -19.990
bonds (distance) P-C4' energy: -23.407
flat angles C4'-P-C4' energy: -25.731
flat angles P-C4'-P energy: -13.291
tors. eta vs tors. theta energy: -25.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -305.015186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.015186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.015186 (E_RNA)
where:
Base-Base interactions energy: -202.911
where: short stacking energy: -111.729
Base-Backbone interact. energy: -1.030
local terms energy: -101.074833
where:
bonds (distance) C4'-P energy: -22.146
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -17.064
flat angles P-C4'-P energy: -13.920
tors. eta vs tors. theta energy: -29.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -298.009234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.009234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.009234 (E_RNA)
where:
Base-Base interactions energy: -182.052
where: short stacking energy: -96.937
Base-Backbone interact. energy: -0.061
local terms energy: -115.896452
where:
bonds (distance) C4'-P energy: -24.157
bonds (distance) P-C4' energy: -25.262
flat angles C4'-P-C4' energy: -22.616
flat angles P-C4'-P energy: -15.241
tors. eta vs tors. theta energy: -28.621
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: 4
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -288.861695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.861695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.861695 (E_RNA)
where:
Base-Base interactions energy: -192.679
where: short stacking energy: -73.617
Base-Backbone interact. energy: -0.036
local terms energy: -96.146245
where:
bonds (distance) C4'-P energy: -18.646
bonds (distance) P-C4' energy: -25.515
flat angles C4'-P-C4' energy: -16.781
flat angles P-C4'-P energy: -18.888
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: 6, replica: 6
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -262.543341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.543341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.543341 (E_RNA)
where:
Base-Base interactions energy: -172.110
where: short stacking energy: -87.119
Base-Backbone interact. energy: -0.880
local terms energy: -89.552836
where:
bonds (distance) C4'-P energy: -14.303
bonds (distance) P-C4' energy: -19.930
flat angles C4'-P-C4' energy: -18.707
flat angles P-C4'-P energy: -16.540
tors. eta vs tors. theta energy: -20.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -264.290520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.290520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.290520 (E_RNA)
where:
Base-Base interactions energy: -175.672
where: short stacking energy: -81.173
Base-Backbone interact. energy: -0.050
local terms energy: -88.568886
where:
bonds (distance) C4'-P energy: -10.229
bonds (distance) P-C4' energy: -15.540
flat angles C4'-P-C4' energy: -25.599
flat angles P-C4'-P energy: -19.755
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: 8, replica: 7
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -235.517517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.517517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.517517 (E_RNA)
where:
Base-Base interactions energy: -143.686
where: short stacking energy: -55.546
Base-Backbone interact. energy: -0.982
local terms energy: -90.849133
where:
bonds (distance) C4'-P energy: -25.556
bonds (distance) P-C4' energy: -21.966
flat angles C4'-P-C4' energy: -21.460
flat angles P-C4'-P energy: -15.164
tors. eta vs tors. theta energy: -6.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -236.203363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.203363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.203363 (E_RNA)
where:
Base-Base interactions energy: -151.879
where: short stacking energy: -60.678
Base-Backbone interact. energy: -0.474
local terms energy: -83.850284
where:
bonds (distance) C4'-P energy: -22.582
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -19.585
flat angles P-C4'-P energy: -11.749
tors. eta vs tors. theta energy: -14.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -201.987557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.987557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.987557 (E_RNA)
where:
Base-Base interactions energy: -117.600
where: short stacking energy: -53.459
Base-Backbone interact. energy: -0.649
local terms energy: -83.738768
where:
bonds (distance) C4'-P energy: -22.077
bonds (distance) P-C4' energy: -20.430
flat angles C4'-P-C4' energy: -19.469
flat angles P-C4'-P energy: -16.073
tors. eta vs tors. theta energy: -5.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -367.401780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.401780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.401780 (E_RNA)
where:
Base-Base interactions energy: -247.730
where: short stacking energy: -109.982
Base-Backbone interact. energy: -0.008
local terms energy: -119.664266
where:
bonds (distance) C4'-P energy: -18.419
bonds (distance) P-C4' energy: -20.468
flat angles C4'-P-C4' energy: -27.513
flat angles P-C4'-P energy: -17.977
tors. eta vs tors. theta energy: -35.287
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: 10
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -357.170570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.170570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.170570 (E_RNA)
where:
Base-Base interactions energy: -233.095
where: short stacking energy: -104.070
Base-Backbone interact. energy: -2.389
local terms energy: -121.686339
where:
bonds (distance) C4'-P energy: -19.752
bonds (distance) P-C4' energy: -26.131
flat angles C4'-P-C4' energy: -27.006
flat angles P-C4'-P energy: -16.471
tors. eta vs tors. theta energy: -32.327
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: 134
Temperature: 1.000000
Total energy: -300.947170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.947170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.947170 (E_RNA)
where:
Base-Base interactions energy: -185.131
where: short stacking energy: -95.205
Base-Backbone interact. energy: -1.082
local terms energy: -114.733348
where:
bonds (distance) C4'-P energy: -22.135
bonds (distance) P-C4' energy: -23.503
flat angles C4'-P-C4' energy: -24.392
flat angles P-C4'-P energy: -15.614
tors. eta vs tors. theta energy: -29.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -276.335504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.335504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.335504 (E_RNA)
where:
Base-Base interactions energy: -171.230
where: short stacking energy: -79.247
Base-Backbone interact. energy: -0.391
local terms energy: -104.715015
where:
bonds (distance) C4'-P energy: -17.992
bonds (distance) P-C4' energy: -26.240
flat angles C4'-P-C4' energy: -20.864
flat angles P-C4'-P energy: -16.839
tors. eta vs tors. theta energy: -22.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -273.161474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.161474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.161474 (E_RNA)
where:
Base-Base interactions energy: -176.173
where: short stacking energy: -83.095
Base-Backbone interact. energy: -0.351
local terms energy: -96.637526
where:
bonds (distance) C4'-P energy: -18.310
bonds (distance) P-C4' energy: -25.712
flat angles C4'-P-C4' energy: -17.176
flat angles P-C4'-P energy: -13.912
tors. eta vs tors. theta energy: -21.527
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: 4
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -279.147686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.147686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.147686 (E_RNA)
where:
Base-Base interactions energy: -188.736
where: short stacking energy: -81.623
Base-Backbone interact. energy: -0.102
local terms energy: -90.309680
where:
bonds (distance) C4'-P energy: -18.675
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -20.411
flat angles P-C4'-P energy: -15.778
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: 7, replica: 7
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -246.717379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.717379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.717379 (E_RNA)
where:
Base-Base interactions energy: -156.619
where: short stacking energy: -56.957
Base-Backbone interact. energy: -0.197
local terms energy: -89.901471
where:
bonds (distance) C4'-P energy: -21.860
bonds (distance) P-C4' energy: -21.259
flat angles C4'-P-C4' energy: -16.390
flat angles P-C4'-P energy: -14.284
tors. eta vs tors. theta energy: -16.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -241.236791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.236791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.236791 (E_RNA)
where:
Base-Base interactions energy: -149.060
where: short stacking energy: -65.664
Base-Backbone interact. energy: -0.252
local terms energy: -91.924854
where:
bonds (distance) C4'-P energy: -20.906
bonds (distance) P-C4' energy: -21.327
flat angles C4'-P-C4' energy: -16.739
flat angles P-C4'-P energy: -18.318
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: 9, replica: 9
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -248.573972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.573972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.573972 (E_RNA)
where:
Base-Base interactions energy: -170.080
where: short stacking energy: -74.428
Base-Backbone interact. energy: 0.911
local terms energy: -79.404840
where:
bonds (distance) C4'-P energy: -20.129
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -17.840
flat angles P-C4'-P energy: -9.584
tors. eta vs tors. theta energy: -16.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -190.927505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.927505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.927505 (E_RNA)
where:
Base-Base interactions energy: -116.867
where: short stacking energy: -57.325
Base-Backbone interact. energy: 0.917
local terms energy: -74.977860
where:
bonds (distance) C4'-P energy: -17.677
bonds (distance) P-C4' energy: -20.871
flat angles C4'-P-C4' energy: -18.621
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: -8.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -370.305793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.305793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.305793 (E_RNA)
where:
Base-Base interactions energy: -241.117
where: short stacking energy: -105.071
Base-Backbone interact. energy: -0.332
local terms energy: -128.857048
where:
bonds (distance) C4'-P energy: -18.828
bonds (distance) P-C4' energy: -27.123
flat angles C4'-P-C4' energy: -27.095
flat angles P-C4'-P energy: -20.313
tors. eta vs tors. theta energy: -35.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -335.926752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.926752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.926752 (E_RNA)
where:
Base-Base interactions energy: -226.245
where: short stacking energy: -100.157
Base-Backbone interact. energy: -0.962
local terms energy: -108.719225
where:
bonds (distance) C4'-P energy: -20.810
bonds (distance) P-C4' energy: -17.430
flat angles C4'-P-C4' energy: -23.610
flat angles P-C4'-P energy: -18.209
tors. eta vs tors. theta energy: -28.660
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: 8
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -297.300395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.300395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.300395 (E_RNA)
where:
Base-Base interactions energy: -190.639
where: short stacking energy: -95.256
Base-Backbone interact. energy: -0.511
local terms energy: -106.150707
where:
bonds (distance) C4'-P energy: -19.763
bonds (distance) P-C4' energy: -22.034
flat angles C4'-P-C4' energy: -24.707
flat angles P-C4'-P energy: -15.554
tors. eta vs tors. theta energy: -24.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -282.737677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.737677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.737677 (E_RNA)
where:
Base-Base interactions energy: -178.255
where: short stacking energy: -89.627
Base-Backbone interact. energy: -0.037
local terms energy: -104.446358
where:
bonds (distance) C4'-P energy: -22.019
bonds (distance) P-C4' energy: -18.363
flat angles C4'-P-C4' energy: -22.207
flat angles P-C4'-P energy: -15.976
tors. eta vs tors. theta energy: -25.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -279.161779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.161779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.161779 (E_RNA)
where:
Base-Base interactions energy: -175.340
where: short stacking energy: -91.908
Base-Backbone interact. energy: -0.117
local terms energy: -103.704940
where:
bonds (distance) C4'-P energy: -21.503
bonds (distance) P-C4' energy: -23.180
flat angles C4'-P-C4' energy: -20.868
flat angles P-C4'-P energy: -14.460
tors. eta vs tors. theta energy: -23.694
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: 4
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -264.370375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.370375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.370375 (E_RNA)
where:
Base-Base interactions energy: -178.633
where: short stacking energy: -78.225
Base-Backbone interact. energy: -0.165
local terms energy: -85.571909
where:
bonds (distance) C4'-P energy: -20.838
bonds (distance) P-C4' energy: -15.875
flat angles C4'-P-C4' energy: -20.972
flat angles P-C4'-P energy: -18.387
tors. eta vs tors. theta energy: -9.500
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: 135
Temperature: 1.200000
Total energy: -241.662132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.662132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.662132 (E_RNA)
where:
Base-Base interactions energy: -157.728
where: short stacking energy: -64.232
Base-Backbone interact. energy: -0.777
local terms energy: -83.157230
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -19.572
flat angles C4'-P-C4' energy: -23.321
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: -10.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -244.738144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.738144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.738144 (E_RNA)
where:
Base-Base interactions energy: -160.458
where: short stacking energy: -57.842
Base-Backbone interact. energy: -0.814
local terms energy: -83.466336
where:
bonds (distance) C4'-P energy: -18.531
bonds (distance) P-C4' energy: -20.060
flat angles C4'-P-C4' energy: -20.064
flat angles P-C4'-P energy: -13.580
tors. eta vs tors. theta energy: -11.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -230.025925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.025925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.025925 (E_RNA)
where:
Base-Base interactions energy: -156.335
where: short stacking energy: -71.059
Base-Backbone interact. energy: -0.092
local terms energy: -73.598165
where:
bonds (distance) C4'-P energy: -24.201
bonds (distance) P-C4' energy: -7.858
flat angles C4'-P-C4' energy: -19.347
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -12.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -200.901019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.901019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.901019 (E_RNA)
where:
Base-Base interactions energy: -127.082
where: short stacking energy: -58.966
Base-Backbone interact. energy: -0.230
local terms energy: -73.589058
where:
bonds (distance) C4'-P energy: -21.564
bonds (distance) P-C4' energy: -18.466
flat angles C4'-P-C4' energy: -17.434
flat angles P-C4'-P energy: -10.477
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: 1, replica: 5
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -368.854974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.854974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.854974 (E_RNA)
where:
Base-Base interactions energy: -247.803
where: short stacking energy: -108.862
Base-Backbone interact. energy: -0.003
local terms energy: -121.048510
where:
bonds (distance) C4'-P energy: -23.356
bonds (distance) P-C4' energy: -20.192
flat angles C4'-P-C4' energy: -27.025
flat angles P-C4'-P energy: -15.851
tors. eta vs tors. theta energy: -34.625
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: 10
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -327.023594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.023594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.023594 (E_RNA)
where:
Base-Base interactions energy: -217.318
where: short stacking energy: -105.463
Base-Backbone interact. energy: -0.773
local terms energy: -108.931876
where:
bonds (distance) C4'-P energy: -21.059
bonds (distance) P-C4' energy: -17.578
flat angles C4'-P-C4' energy: -21.504
flat angles P-C4'-P energy: -17.397
tors. eta vs tors. theta energy: -31.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -296.132016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.132016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.132016 (E_RNA)
where:
Base-Base interactions energy: -200.277
where: short stacking energy: -82.737
Base-Backbone interact. energy: -0.578
local terms energy: -95.276919
where:
bonds (distance) C4'-P energy: -21.604
bonds (distance) P-C4' energy: -20.897
flat angles C4'-P-C4' energy: -22.529
flat angles P-C4'-P energy: -11.922
tors. eta vs tors. theta energy: -18.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -281.186725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.186725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.186725 (E_RNA)
where:
Base-Base interactions energy: -175.755
where: short stacking energy: -84.058
Base-Backbone interact. energy: -0.008
local terms energy: -105.423781
where:
bonds (distance) C4'-P energy: -21.842
bonds (distance) P-C4' energy: -20.527
flat angles C4'-P-C4' energy: -21.387
flat angles P-C4'-P energy: -21.046
tors. eta vs tors. theta energy: -20.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -289.512678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.512678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.512678 (E_RNA)
where:
Base-Base interactions energy: -195.294
where: short stacking energy: -81.737
Base-Backbone interact. energy: -0.188
local terms energy: -94.030895
where:
bonds (distance) C4'-P energy: -23.406
bonds (distance) P-C4' energy: -17.419
flat angles C4'-P-C4' energy: -22.310
flat angles P-C4'-P energy: -14.226
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: 6, replica: 2
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -254.977974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.977974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.977974 (E_RNA)
where:
Base-Base interactions energy: -162.805
where: short stacking energy: -77.998
Base-Backbone interact. energy: -0.266
local terms energy: -91.906750
where:
bonds (distance) C4'-P energy: -17.094
bonds (distance) P-C4' energy: -21.007
flat angles C4'-P-C4' energy: -24.175
flat angles P-C4'-P energy: -13.940
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: 7, replica: 7
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -261.762862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.762862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.762862 (E_RNA)
where:
Base-Base interactions energy: -174.892
where: short stacking energy: -66.334
Base-Backbone interact. energy: -0.255
local terms energy: -86.616565
where:
bonds (distance) C4'-P energy: -18.433
bonds (distance) P-C4' energy: -21.617
flat angles C4'-P-C4' energy: -18.401
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -17.804
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: 9
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -246.928517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.928517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.928517 (E_RNA)
where:
Base-Base interactions energy: -157.348
where: short stacking energy: -70.788
Base-Backbone interact. energy: 0.741
local terms energy: -90.320841
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -21.764
flat angles C4'-P-C4' energy: -19.405
flat angles P-C4'-P energy: -16.697
tors. eta vs tors. theta energy: -20.414
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: 136
Temperature: 1.300000
Total energy: -237.671420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.671420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.671420 (E_RNA)
where:
Base-Base interactions energy: -147.640
where: short stacking energy: -64.781
Base-Backbone interact. energy: -0.495
local terms energy: -89.536611
where:
bonds (distance) C4'-P energy: -20.198
bonds (distance) P-C4' energy: -22.205
flat angles C4'-P-C4' energy: -19.553
flat angles P-C4'-P energy: -12.140
tors. eta vs tors. theta energy: -15.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -228.474233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.474233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.474233 (E_RNA)
where:
Base-Base interactions energy: -139.094
where: short stacking energy: -67.913
Base-Backbone interact. energy: 0.616
local terms energy: -89.996021
where:
bonds (distance) C4'-P energy: -20.874
bonds (distance) P-C4' energy: -22.915
flat angles C4'-P-C4' energy: -15.318
flat angles P-C4'-P energy: -11.496
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: 1, replica: 5
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -373.958668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.958668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.958668 (E_RNA)
where:
Base-Base interactions energy: -252.261
where: short stacking energy: -109.524
Base-Backbone interact. energy: -0.026
local terms energy: -121.671534
where:
bonds (distance) C4'-P energy: -20.926
bonds (distance) P-C4' energy: -22.217
flat angles C4'-P-C4' energy: -26.581
flat angles P-C4'-P energy: -17.847
tors. eta vs tors. theta energy: -34.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -317.904718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.904718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.904718 (E_RNA)
where:
Base-Base interactions energy: -212.184
where: short stacking energy: -96.231
Base-Backbone interact. energy: -1.391
local terms energy: -104.330615
where:
bonds (distance) C4'-P energy: -20.104
bonds (distance) P-C4' energy: -18.724
flat angles C4'-P-C4' energy: -23.125
flat angles P-C4'-P energy: -16.106
tors. eta vs tors. theta energy: -26.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -311.333623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.333623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.333623 (E_RNA)
where:
Base-Base interactions energy: -199.588
where: short stacking energy: -103.767
Base-Backbone interact. energy: -0.037
local terms energy: -111.708306
where:
bonds (distance) C4'-P energy: -19.032
bonds (distance) P-C4' energy: -22.004
flat angles C4'-P-C4' energy: -26.701
flat angles P-C4'-P energy: -13.412
tors. eta vs tors. theta energy: -30.560
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: 4, replica: 4
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -309.147535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.147535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.147535 (E_RNA)
where:
Base-Base interactions energy: -202.391
where: short stacking energy: -99.059
Base-Backbone interact. energy: -0.387
local terms energy: -106.368966
where:
bonds (distance) C4'-P energy: -22.694
bonds (distance) P-C4' energy: -24.039
flat angles C4'-P-C4' energy: -24.073
flat angles P-C4'-P energy: -13.162
tors. eta vs tors. theta energy: -22.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -266.277573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.277573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.277573 (E_RNA)
where:
Base-Base interactions energy: -164.278
where: short stacking energy: -73.437
Base-Backbone interact. energy: -0.079
local terms energy: -101.919720
where:
bonds (distance) C4'-P energy: -20.993
bonds (distance) P-C4' energy: -17.071
flat angles C4'-P-C4' energy: -23.004
flat angles P-C4'-P energy: -20.700
tors. eta vs tors. theta energy: -20.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -274.950056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.950056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.950056 (E_RNA)
where:
Base-Base interactions energy: -178.626
where: short stacking energy: -74.107
Base-Backbone interact. energy: -0.417
local terms energy: -95.907038
where:
bonds (distance) C4'-P energy: -21.127
bonds (distance) P-C4' energy: -21.762
flat angles C4'-P-C4' energy: -21.698
flat angles P-C4'-P energy: -11.730
tors. eta vs tors. theta energy: -19.589
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: 7, replica: 2
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -261.908072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.908072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.908072 (E_RNA)
where:
Base-Base interactions energy: -165.444
where: short stacking energy: -76.265
Base-Backbone interact. energy: -0.141
local terms energy: -96.323497
where:
bonds (distance) C4'-P energy: -19.491
bonds (distance) P-C4' energy: -19.280
flat angles C4'-P-C4' energy: -23.750
flat angles P-C4'-P energy: -14.482
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: 8, replica: 3
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -223.100269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.100269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.100269 (E_RNA)
where:
Base-Base interactions energy: -134.736
where: short stacking energy: -56.707
Base-Backbone interact. energy: -0.402
local terms energy: -87.962233
where:
bonds (distance) C4'-P energy: -18.956
bonds (distance) P-C4' energy: -23.441
flat angles C4'-P-C4' energy: -18.595
flat angles P-C4'-P energy: -12.673
tors. eta vs tors. theta energy: -14.298
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: 9
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -238.887309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.887309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.887309 (E_RNA)
where:
Base-Base interactions energy: -142.106
where: short stacking energy: -59.000
Base-Backbone interact. energy: -0.011
local terms energy: -96.770918
where:
bonds (distance) C4'-P energy: -22.646
bonds (distance) P-C4' energy: -24.214
flat angles C4'-P-C4' energy: -19.278
flat angles P-C4'-P energy: -11.807
tors. eta vs tors. theta energy: -18.826
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: 1
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -235.701429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.701429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.701429 (E_RNA)
where:
Base-Base interactions energy: -147.496
where: short stacking energy: -68.098
Base-Backbone interact. energy: 0.121
local terms energy: -88.326179
where:
bonds (distance) C4'-P energy: -18.830
bonds (distance) P-C4' energy: -23.008
flat angles C4'-P-C4' energy: -17.910
flat angles P-C4'-P energy: -13.240
tors. eta vs tors. theta energy: -15.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -373.471616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.471616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.471616 (E_RNA)
where:
Base-Base interactions energy: -259.823
where: short stacking energy: -111.288
Base-Backbone interact. energy: -0.111
local terms energy: -113.537281
where:
bonds (distance) C4'-P energy: -21.784
bonds (distance) P-C4' energy: -22.757
flat angles C4'-P-C4' energy: -19.092
flat angles P-C4'-P energy: -16.714
tors. eta vs tors. theta energy: -33.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -331.634070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.634070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.634070 (E_RNA)
where:
Base-Base interactions energy: -222.434
where: short stacking energy: -99.226
Base-Backbone interact. energy: -0.344
local terms energy: -108.855897
where:
bonds (distance) C4'-P energy: -22.432
bonds (distance) P-C4' energy: -23.561
flat angles C4'-P-C4' energy: -19.459
flat angles P-C4'-P energy: -16.757
tors. eta vs tors. theta energy: -26.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -332.285177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.285177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.285177 (E_RNA)
where:
Base-Base interactions energy: -223.161
where: short stacking energy: -103.094
Base-Backbone interact. energy: -1.410
local terms energy: -107.714272
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -21.892
flat angles C4'-P-C4' energy: -26.431
flat angles P-C4'-P energy: -16.755
tors. eta vs tors. theta energy: -27.963
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: 4, replica: 8
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -302.092404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.092404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.092404 (E_RNA)
where:
Base-Base interactions energy: -196.365
where: short stacking energy: -94.556
Base-Backbone interact. energy: -0.080
local terms energy: -105.646971
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -23.279
flat angles C4'-P-C4' energy: -25.681
flat angles P-C4'-P energy: -17.026
tors. eta vs tors. theta energy: -27.264
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: 6
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -291.069041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.069041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.069041 (E_RNA)
where:
Base-Base interactions energy: -183.836
where: short stacking energy: -94.066
Base-Backbone interact. energy: -0.022
local terms energy: -107.210778
where:
bonds (distance) C4'-P energy: -20.339
bonds (distance) P-C4' energy: -21.865
flat angles C4'-P-C4' energy: -22.987
flat angles P-C4'-P energy: -15.739
tors. eta vs tors. theta energy: -26.281
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: 7
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -273.327992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.327992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.327992 (E_RNA)
where:
Base-Base interactions energy: -180.643
where: short stacking energy: -85.882
Base-Backbone interact. energy: -0.205
local terms energy: -92.479443
where:
bonds (distance) C4'-P energy: -20.285
bonds (distance) P-C4' energy: -26.807
flat angles C4'-P-C4' energy: -17.095
flat angles P-C4'-P energy: -5.049
tors. eta vs tors. theta energy: -23.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -269.420050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.420050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.420050 (E_RNA)
where:
Base-Base interactions energy: -160.614
where: short stacking energy: -64.269
Base-Backbone interact. energy: -1.120
local terms energy: -107.685435
where:
bonds (distance) C4'-P energy: -20.490
bonds (distance) P-C4' energy: -22.152
flat angles C4'-P-C4' energy: -25.995
flat angles P-C4'-P energy: -13.466
tors. eta vs tors. theta energy: -25.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -212.699595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.699595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.699595 (E_RNA)
where:
Base-Base interactions energy: -126.130
where: short stacking energy: -62.992
Base-Backbone interact. energy: -0.060
local terms energy: -86.509221
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -24.192
flat angles C4'-P-C4' energy: -20.344
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -13.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -253.219209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.219209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.219209 (E_RNA)
where:
Base-Base interactions energy: -171.829
where: short stacking energy: -77.290
Base-Backbone interact. energy: 1.042
local terms energy: -82.432503
where:
bonds (distance) C4'-P energy: -13.694
bonds (distance) P-C4' energy: -19.820
flat angles C4'-P-C4' energy: -19.133
flat angles P-C4'-P energy: -12.796
tors. eta vs tors. theta energy: -16.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -226.543250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.543250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.543250 (E_RNA)
where:
Base-Base interactions energy: -141.315
where: short stacking energy: -80.000
Base-Backbone interact. energy: 0.020
local terms energy: -85.248480
where:
bonds (distance) C4'-P energy: -19.464
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -21.549
flat angles P-C4'-P energy: -8.211
tors. eta vs tors. theta energy: -18.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -373.341159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.341159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.341159 (E_RNA)
where:
Base-Base interactions energy: -251.390
where: short stacking energy: -112.021
Base-Backbone interact. energy: -0.101
local terms energy: -121.850580
where:
bonds (distance) C4'-P energy: -22.491
bonds (distance) P-C4' energy: -21.643
flat angles C4'-P-C4' energy: -28.362
flat angles P-C4'-P energy: -16.221
tors. eta vs tors. theta energy: -33.133
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: 4
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -323.794281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.794281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.794281 (E_RNA)
where:
Base-Base interactions energy: -218.810
where: short stacking energy: -94.541
Base-Backbone interact. energy: -0.967
local terms energy: -104.017036
where:
bonds (distance) C4'-P energy: -23.303
bonds (distance) P-C4' energy: -20.748
flat angles C4'-P-C4' energy: -22.095
flat angles P-C4'-P energy: -14.432
tors. eta vs tors. theta energy: -23.439
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: 10
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -315.815071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.815071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.815071 (E_RNA)
where:
Base-Base interactions energy: -212.187
where: short stacking energy: -88.829
Base-Backbone interact. energy: 2.539
local terms energy: -106.166580
where:
bonds (distance) C4'-P energy: -20.678
bonds (distance) P-C4' energy: -25.920
flat angles C4'-P-C4' energy: -21.381
flat angles P-C4'-P energy: -13.246
tors. eta vs tors. theta energy: -24.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -308.285292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.285292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.285292 (E_RNA)
where:
Base-Base interactions energy: -207.662
where: short stacking energy: -87.358
Base-Backbone interact. energy: 0.235
local terms energy: -100.857546
where:
bonds (distance) C4'-P energy: -26.226
bonds (distance) P-C4' energy: -17.533
flat angles C4'-P-C4' energy: -19.400
flat angles P-C4'-P energy: -14.007
tors. eta vs tors. theta energy: -23.693
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: 5, replica: 6
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -273.141762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.141762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.141762 (E_RNA)
where:
Base-Base interactions energy: -173.516
where: short stacking energy: -80.244
Base-Backbone interact. energy: -0.392
local terms energy: -99.233552
where:
bonds (distance) C4'-P energy: -20.090
bonds (distance) P-C4' energy: -18.453
flat angles C4'-P-C4' energy: -20.635
flat angles P-C4'-P energy: -18.446
tors. eta vs tors. theta energy: -21.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -274.324130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.324130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.324130 (E_RNA)
where:
Base-Base interactions energy: -173.527
where: short stacking energy: -84.442
Base-Backbone interact. energy: -0.829
local terms energy: -99.968311
where:
bonds (distance) C4'-P energy: -18.629
bonds (distance) P-C4' energy: -22.697
flat angles C4'-P-C4' energy: -19.458
flat angles P-C4'-P energy: -15.698
tors. eta vs tors. theta energy: -23.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -243.362248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.362248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.362248 (E_RNA)
where:
Base-Base interactions energy: -153.784
where: short stacking energy: -65.355
Base-Backbone interact. energy: -0.433
local terms energy: -89.145754
where:
bonds (distance) C4'-P energy: -21.850
bonds (distance) P-C4' energy: -18.922
flat angles C4'-P-C4' energy: -21.544
flat angles P-C4'-P energy: -13.197
tors. eta vs tors. theta energy: -13.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -243.892152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.892152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.892152 (E_RNA)
where:
Base-Base interactions energy: -152.128
where: short stacking energy: -70.716
Base-Backbone interact. energy: -0.104
local terms energy: -91.660026
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -22.388
flat angles C4'-P-C4' energy: -23.655
flat angles P-C4'-P energy: -14.023
tors. eta vs tors. theta energy: -16.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -194.648943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.648943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.648943 (E_RNA)
where:
Base-Base interactions energy: -116.678
where: short stacking energy: -57.359
Base-Backbone interact. energy: -0.247
local terms energy: -77.723782
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -18.056
flat angles C4'-P-C4' energy: -24.074
flat angles P-C4'-P energy: -11.553
tors. eta vs tors. theta energy: -8.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -193.327710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.327710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.327710 (E_RNA)
where:
Base-Base interactions energy: -119.488
where: short stacking energy: -60.460
Base-Backbone interact. energy: -0.620
local terms energy: -73.219863
where:
bonds (distance) C4'-P energy: -22.136
bonds (distance) P-C4' energy: -14.375
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -11.231
tors. eta vs tors. theta energy: -9.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -364.905835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.905835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.905835 (E_RNA)
where:
Base-Base interactions energy: -252.349
where: short stacking energy: -112.125
Base-Backbone interact. energy: -0.102
local terms energy: -112.454087
where:
bonds (distance) C4'-P energy: -21.557
bonds (distance) P-C4' energy: -16.760
flat angles C4'-P-C4' energy: -26.070
flat angles P-C4'-P energy: -15.208
tors. eta vs tors. theta energy: -32.859
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: 2, replica: 4
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -326.920430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.920430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.920430 (E_RNA)
where:
Base-Base interactions energy: -228.221
where: short stacking energy: -78.847
Base-Backbone interact. energy: -0.471
local terms energy: -98.229064
where:
bonds (distance) C4'-P energy: -17.788
bonds (distance) P-C4' energy: -24.561
flat angles C4'-P-C4' energy: -22.785
flat angles P-C4'-P energy: -12.916
tors. eta vs tors. theta energy: -20.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -311.756512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.756512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.756512 (E_RNA)
where:
Base-Base interactions energy: -207.594
where: short stacking energy: -91.706
Base-Backbone interact. energy: -0.116
local terms energy: -104.046570
where:
bonds (distance) C4'-P energy: -19.138
bonds (distance) P-C4' energy: -20.794
flat angles C4'-P-C4' energy: -24.667
flat angles P-C4'-P energy: -15.555
tors. eta vs tors. theta energy: -23.892
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: 10
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -304.660602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.660602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.660602 (E_RNA)
where:
Base-Base interactions energy: -199.807
where: short stacking energy: -86.556
Base-Backbone interact. energy: -0.412
local terms energy: -104.440881
where:
bonds (distance) C4'-P energy: -22.695
bonds (distance) P-C4' energy: -21.957
flat angles C4'-P-C4' energy: -23.759
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -25.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -275.333436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.333436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.333436 (E_RNA)
where:
Base-Base interactions energy: -185.384
where: short stacking energy: -86.494
Base-Backbone interact. energy: -0.196
local terms energy: -89.752741
where:
bonds (distance) C4'-P energy: -17.131
bonds (distance) P-C4' energy: -19.011
flat angles C4'-P-C4' energy: -17.723
flat angles P-C4'-P energy: -16.746
tors. eta vs tors. theta energy: -19.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -262.774511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.774511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.774511 (E_RNA)
where:
Base-Base interactions energy: -166.967
where: short stacking energy: -74.600
Base-Backbone interact. energy: -0.689
local terms energy: -95.118004
where:
bonds (distance) C4'-P energy: -18.955
bonds (distance) P-C4' energy: -24.387
flat angles C4'-P-C4' energy: -20.537
flat angles P-C4'-P energy: -17.138
tors. eta vs tors. theta energy: -14.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -263.818878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.818878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.818878 (E_RNA)
where:
Base-Base interactions energy: -164.431
where: short stacking energy: -74.136
Base-Backbone interact. energy: -0.190
local terms energy: -99.198020
where:
bonds (distance) C4'-P energy: -22.114
bonds (distance) P-C4' energy: -22.651
flat angles C4'-P-C4' energy: -17.457
flat angles P-C4'-P energy: -19.000
tors. eta vs tors. theta energy: -17.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -249.411953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.411953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.411953 (E_RNA)
where:
Base-Base interactions energy: -155.160
where: short stacking energy: -74.149
Base-Backbone interact. energy: -0.238
local terms energy: -94.013623
where:
bonds (distance) C4'-P energy: -17.987
bonds (distance) P-C4' energy: -22.256
flat angles C4'-P-C4' energy: -19.965
flat angles P-C4'-P energy: -16.608
tors. eta vs tors. theta energy: -17.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -196.606558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.606558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.606558 (E_RNA)
where:
Base-Base interactions energy: -121.204
where: short stacking energy: -51.499
Base-Backbone interact. energy: -0.233
local terms energy: -75.169691
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -26.206
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: -7.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -195.856297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.856297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.856297 (E_RNA)
where:
Base-Base interactions energy: -113.807
where: short stacking energy: -46.684
Base-Backbone interact. energy: -0.865
local terms energy: -81.183575
where:
bonds (distance) C4'-P energy: -21.032
bonds (distance) P-C4' energy: -23.451
flat angles C4'-P-C4' energy: -18.657
flat angles P-C4'-P energy: -10.347
tors. eta vs tors. theta energy: -7.697
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: 5
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -370.651131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.651131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.651131 (E_RNA)
where:
Base-Base interactions energy: -257.603
where: short stacking energy: -113.916
Base-Backbone interact. energy: -0.043
local terms energy: -113.005274
where:
bonds (distance) C4'-P energy: -18.485
bonds (distance) P-C4' energy: -22.478
flat angles C4'-P-C4' energy: -23.396
flat angles P-C4'-P energy: -15.850
tors. eta vs tors. theta energy: -32.796
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: 2, replica: 4
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -342.990299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.990299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.990299 (E_RNA)
where:
Base-Base interactions energy: -236.858
where: short stacking energy: -88.301
Base-Backbone interact. energy: -0.465
local terms energy: -105.667491
where:
bonds (distance) C4'-P energy: -14.172
bonds (distance) P-C4' energy: -21.035
flat angles C4'-P-C4' energy: -24.408
flat angles P-C4'-P energy: -20.342
tors. eta vs tors. theta energy: -25.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -317.116112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.116112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.116112 (E_RNA)
where:
Base-Base interactions energy: -211.280
where: short stacking energy: -93.536
Base-Backbone interact. energy: -0.077
local terms energy: -105.759440
where:
bonds (distance) C4'-P energy: -19.166
bonds (distance) P-C4' energy: -19.476
flat angles C4'-P-C4' energy: -23.873
flat angles P-C4'-P energy: -16.834
tors. eta vs tors. theta energy: -26.410
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: 10
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -311.801992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.801992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.801992 (E_RNA)
where:
Base-Base interactions energy: -207.855
where: short stacking energy: -93.097
Base-Backbone interact. energy: -0.155
local terms energy: -103.792188
where:
bonds (distance) C4'-P energy: -24.103
bonds (distance) P-C4' energy: -22.018
flat angles C4'-P-C4' energy: -23.958
flat angles P-C4'-P energy: -11.453
tors. eta vs tors. theta energy: -22.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -265.604124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.604124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.604124 (E_RNA)
where:
Base-Base interactions energy: -168.825
where: short stacking energy: -65.127
Base-Backbone interact. energy: -1.696
local terms energy: -95.082755
where:
bonds (distance) C4'-P energy: -23.410
bonds (distance) P-C4' energy: -21.340
flat angles C4'-P-C4' energy: -26.653
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -14.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -254.842379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.842379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.842379 (E_RNA)
where:
Base-Base interactions energy: -161.892
where: short stacking energy: -80.710
Base-Backbone interact. energy: -0.424
local terms energy: -92.526688
where:
bonds (distance) C4'-P energy: -15.885
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -23.007
flat angles P-C4'-P energy: -13.331
tors. eta vs tors. theta energy: -22.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -258.629115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.629115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.629115 (E_RNA)
where:
Base-Base interactions energy: -158.185
where: short stacking energy: -79.688
Base-Backbone interact. energy: -0.010
local terms energy: -100.434176
where:
bonds (distance) C4'-P energy: -19.653
bonds (distance) P-C4' energy: -24.210
flat angles C4'-P-C4' energy: -21.339
flat angles P-C4'-P energy: -18.974
tors. eta vs tors. theta energy: -16.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -258.529419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.529419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.529419 (E_RNA)
where:
Base-Base interactions energy: -179.780
where: short stacking energy: -79.113
Base-Backbone interact. energy: -0.117
local terms energy: -78.631978
where:
bonds (distance) C4'-P energy: -17.632
bonds (distance) P-C4' energy: -12.770
flat angles C4'-P-C4' energy: -17.943
flat angles P-C4'-P energy: -12.112
tors. eta vs tors. theta energy: -18.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -233.547522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.547522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.547522 (E_RNA)
where:
Base-Base interactions energy: -150.921
where: short stacking energy: -64.340
Base-Backbone interact. energy: 0.027
local terms energy: -82.654470
where:
bonds (distance) C4'-P energy: -17.725
bonds (distance) P-C4' energy: -20.474
flat angles C4'-P-C4' energy: -20.033
flat angles P-C4'-P energy: -9.945
tors. eta vs tors. theta energy: -14.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -188.468244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.468244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.468244 (E_RNA)
where:
Base-Base interactions energy: -115.139
where: short stacking energy: -60.835
Base-Backbone interact. energy: -0.183
local terms energy: -73.146620
where:
bonds (distance) C4'-P energy: -17.251
bonds (distance) P-C4' energy: -21.396
flat angles C4'-P-C4' energy: -19.147
flat angles P-C4'-P energy: -6.477
tors. eta vs tors. theta energy: -8.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -373.081293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.081293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.081293 (E_RNA)
where:
Base-Base interactions energy: -256.681
where: short stacking energy: -111.625
Base-Backbone interact. energy: -0.586
local terms energy: -115.813885
where:
bonds (distance) C4'-P energy: -23.023
bonds (distance) P-C4' energy: -18.134
flat angles C4'-P-C4' energy: -26.040
flat angles P-C4'-P energy: -15.533
tors. eta vs tors. theta energy: -33.083
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: 2, replica: 4
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -342.570336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.570336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.570336 (E_RNA)
where:
Base-Base interactions energy: -224.718
where: short stacking energy: -86.415
Base-Backbone interact. energy: -1.892
local terms energy: -115.960651
where:
bonds (distance) C4'-P energy: -22.111
bonds (distance) P-C4' energy: -24.397
flat angles C4'-P-C4' energy: -23.187
flat angles P-C4'-P energy: -19.494
tors. eta vs tors. theta energy: -26.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -332.027024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.027024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.027024 (E_RNA)
where:
Base-Base interactions energy: -224.083
where: short stacking energy: -98.987
Base-Backbone interact. energy: -0.939
local terms energy: -107.004470
where:
bonds (distance) C4'-P energy: -25.079
bonds (distance) P-C4' energy: -15.180
flat angles C4'-P-C4' energy: -25.250
flat angles P-C4'-P energy: -13.526
tors. eta vs tors. theta energy: -27.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -296.060551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.060551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.060551 (E_RNA)
where:
Base-Base interactions energy: -187.980
where: short stacking energy: -83.989
Base-Backbone interact. energy: -0.139
local terms energy: -107.941607
where:
bonds (distance) C4'-P energy: -23.109
bonds (distance) P-C4' energy: -22.878
flat angles C4'-P-C4' energy: -23.677
flat angles P-C4'-P energy: -17.465
tors. eta vs tors. theta energy: -20.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -284.924233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.924233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.924233 (E_RNA)
where:
Base-Base interactions energy: -187.619
where: short stacking energy: -77.199
Base-Backbone interact. energy: -0.227
local terms energy: -97.078160
where:
bonds (distance) C4'-P energy: -18.692
bonds (distance) P-C4' energy: -24.375
flat angles C4'-P-C4' energy: -18.777
flat angles P-C4'-P energy: -15.057
tors. eta vs tors. theta energy: -20.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -273.285928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.285928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.285928 (E_RNA)
where:
Base-Base interactions energy: -174.264
where: short stacking energy: -81.948
Base-Backbone interact. energy: -0.105
local terms energy: -98.917043
where:
bonds (distance) C4'-P energy: -20.298
bonds (distance) P-C4' energy: -23.909
flat angles C4'-P-C4' energy: -20.196
flat angles P-C4'-P energy: -12.368
tors. eta vs tors. theta energy: -22.146
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: 9
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -254.607149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.607149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.607149 (E_RNA)
where:
Base-Base interactions energy: -170.555
where: short stacking energy: -77.800
Base-Backbone interact. energy: 1.547
local terms energy: -85.599709
where:
bonds (distance) C4'-P energy: -22.890
bonds (distance) P-C4' energy: -18.377
flat angles C4'-P-C4' energy: -22.164
flat angles P-C4'-P energy: -4.631
tors. eta vs tors. theta energy: -17.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -241.247554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.247554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.247554 (E_RNA)
where:
Base-Base interactions energy: -148.497
where: short stacking energy: -68.961
Base-Backbone interact. energy: -0.906
local terms energy: -91.844404
where:
bonds (distance) C4'-P energy: -19.313
bonds (distance) P-C4' energy: -17.064
flat angles C4'-P-C4' energy: -24.533
flat angles P-C4'-P energy: -14.389
tors. eta vs tors. theta energy: -16.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -195.848940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.848940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.848940 (E_RNA)
where:
Base-Base interactions energy: -121.824
where: short stacking energy: -65.172
Base-Backbone interact. energy: -0.163
local terms energy: -73.861375
where:
bonds (distance) C4'-P energy: -20.553
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -19.166
flat angles P-C4'-P energy: -6.018
tors. eta vs tors. theta energy: -12.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -209.677580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.677580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.677580 (E_RNA)
where:
Base-Base interactions energy: -136.100
where: short stacking energy: -56.697
Base-Backbone interact. energy: -0.028
local terms energy: -73.549096
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -19.667
flat angles C4'-P-C4' energy: -18.114
flat angles P-C4'-P energy: -14.356
tors. eta vs tors. theta energy: -7.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -375.040169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.040169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.040169 (E_RNA)
where:
Base-Base interactions energy: -255.992
where: short stacking energy: -119.462
Base-Backbone interact. energy: -0.023
local terms energy: -119.025674
where:
bonds (distance) C4'-P energy: -23.127
bonds (distance) P-C4' energy: -20.923
flat angles C4'-P-C4' energy: -24.296
flat angles P-C4'-P energy: -18.460
tors. eta vs tors. theta energy: -32.219
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: 4
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -340.534775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.534775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.534775 (E_RNA)
where:
Base-Base interactions energy: -234.891
where: short stacking energy: -99.410
Base-Backbone interact. energy: 0.489
local terms energy: -106.133338
where:
bonds (distance) C4'-P energy: -22.678
bonds (distance) P-C4' energy: -18.957
flat angles C4'-P-C4' energy: -21.526
flat angles P-C4'-P energy: -17.439
tors. eta vs tors. theta energy: -25.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -328.121915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.121915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.121915 (E_RNA)
where:
Base-Base interactions energy: -219.762
where: short stacking energy: -99.283
Base-Backbone interact. energy: -0.098
local terms energy: -108.261334
where:
bonds (distance) C4'-P energy: -22.765
bonds (distance) P-C4' energy: -24.101
flat angles C4'-P-C4' energy: -20.324
flat angles P-C4'-P energy: -12.830
tors. eta vs tors. theta energy: -28.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -291.216913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.216913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.216913 (E_RNA)
where:
Base-Base interactions energy: -190.082
where: short stacking energy: -69.673
Base-Backbone interact. energy: -0.434
local terms energy: -100.701308
where:
bonds (distance) C4'-P energy: -23.609
bonds (distance) P-C4' energy: -24.061
flat angles C4'-P-C4' energy: -19.815
flat angles P-C4'-P energy: -13.585
tors. eta vs tors. theta energy: -19.631
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: 5, replica: 2
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -269.510883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.510883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.510883 (E_RNA)
where:
Base-Base interactions energy: -170.102
where: short stacking energy: -80.726
Base-Backbone interact. energy: -0.404
local terms energy: -99.004778
where:
bonds (distance) C4'-P energy: -20.676
bonds (distance) P-C4' energy: -20.329
flat angles C4'-P-C4' energy: -23.158
flat angles P-C4'-P energy: -13.017
tors. eta vs tors. theta energy: -21.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -273.672141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.672141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.672141 (E_RNA)
where:
Base-Base interactions energy: -169.407
where: short stacking energy: -77.590
Base-Backbone interact. energy: 0.335
local terms energy: -104.600888
where:
bonds (distance) C4'-P energy: -23.873
bonds (distance) P-C4' energy: -23.549
flat angles C4'-P-C4' energy: -21.465
flat angles P-C4'-P energy: -17.893
tors. eta vs tors. theta energy: -17.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -265.705947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.705947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.705947 (E_RNA)
where:
Base-Base interactions energy: -167.571
where: short stacking energy: -78.817
Base-Backbone interact. energy: -0.240
local terms energy: -97.895834
where:
bonds (distance) C4'-P energy: -20.205
bonds (distance) P-C4' energy: -25.079
flat angles C4'-P-C4' energy: -23.263
flat angles P-C4'-P energy: -5.378
tors. eta vs tors. theta energy: -23.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -238.244535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.244535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.244535 (E_RNA)
where:
Base-Base interactions energy: -143.911
where: short stacking energy: -73.340
Base-Backbone interact. energy: -0.342
local terms energy: -93.992321
where:
bonds (distance) C4'-P energy: -19.972
bonds (distance) P-C4' energy: -22.557
flat angles C4'-P-C4' energy: -22.948
flat angles P-C4'-P energy: -7.693
tors. eta vs tors. theta energy: -20.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -199.165790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.165790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.165790 (E_RNA)
where:
Base-Base interactions energy: -116.529
where: short stacking energy: -67.498
Base-Backbone interact. energy: -0.357
local terms energy: -82.279075
where:
bonds (distance) C4'-P energy: -19.319
bonds (distance) P-C4' energy: -16.993
flat angles C4'-P-C4' energy: -19.881
flat angles P-C4'-P energy: -13.702
tors. eta vs tors. theta energy: -12.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -251.323694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.323694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.323694 (E_RNA)
where:
Base-Base interactions energy: -154.980
where: short stacking energy: -66.854
Base-Backbone interact. energy: -0.305
local terms energy: -96.038697
where:
bonds (distance) C4'-P energy: -18.062
bonds (distance) P-C4' energy: -13.037
flat angles C4'-P-C4' energy: -21.689
flat angles P-C4'-P energy: -19.045
tors. eta vs tors. theta energy: -24.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -329.811676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.811676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.811676 (E_RNA)
where:
Base-Base interactions energy: -221.424
where: short stacking energy: -93.410
Base-Backbone interact. energy: -0.406
local terms energy: -107.982265
where:
bonds (distance) C4'-P energy: -24.957
bonds (distance) P-C4' energy: -24.636
flat angles C4'-P-C4' energy: -23.302
flat angles P-C4'-P energy: -13.456
tors. eta vs tors. theta energy: -21.632
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: 2, replica: 5
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -363.729440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.729440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.729440 (E_RNA)
where:
Base-Base interactions energy: -248.954
where: short stacking energy: -104.378
Base-Backbone interact. energy: -0.108
local terms energy: -114.666847
where:
bonds (distance) C4'-P energy: -19.290
bonds (distance) P-C4' energy: -20.639
flat angles C4'-P-C4' energy: -26.857
flat angles P-C4'-P energy: -17.789
tors. eta vs tors. theta energy: -30.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -310.066178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.066178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.066178 (E_RNA)
where:
Base-Base interactions energy: -208.512
where: short stacking energy: -88.388
Base-Backbone interact. energy: 1.193
local terms energy: -102.747575
where:
bonds (distance) C4'-P energy: -26.446
bonds (distance) P-C4' energy: -20.465
flat angles C4'-P-C4' energy: -21.632
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: -23.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -317.722642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.722642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.722642 (E_RNA)
where:
Base-Base interactions energy: -205.250
where: short stacking energy: -89.210
Base-Backbone interact. energy: -1.587
local terms energy: -110.885216
where:
bonds (distance) C4'-P energy: -23.704
bonds (distance) P-C4' energy: -23.995
flat angles C4'-P-C4' energy: -23.579
flat angles P-C4'-P energy: -15.857
tors. eta vs tors. theta energy: -23.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -274.879170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.879170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.879170 (E_RNA)
where:
Base-Base interactions energy: -173.975
where: short stacking energy: -74.312
Base-Backbone interact. energy: 1.041
local terms energy: -101.944561
where:
bonds (distance) C4'-P energy: -23.971
bonds (distance) P-C4' energy: -24.698
flat angles C4'-P-C4' energy: -23.273
flat angles P-C4'-P energy: -13.516
tors. eta vs tors. theta energy: -16.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -271.921311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.921311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.921311 (E_RNA)
where:
Base-Base interactions energy: -183.448
where: short stacking energy: -69.081
Base-Backbone interact. energy: -1.093
local terms energy: -87.379892
where:
bonds (distance) C4'-P energy: -17.821
bonds (distance) P-C4' energy: -24.429
flat angles C4'-P-C4' energy: -16.920
flat angles P-C4'-P energy: -12.774
tors. eta vs tors. theta energy: -15.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -244.813077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.813077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.813077 (E_RNA)
where:
Base-Base interactions energy: -147.498
where: short stacking energy: -66.568
Base-Backbone interact. energy: 3.615
local terms energy: -100.929491
where:
bonds (distance) C4'-P energy: -21.713
bonds (distance) P-C4' energy: -21.568
flat angles C4'-P-C4' energy: -23.447
flat angles P-C4'-P energy: -13.831
tors. eta vs tors. theta energy: -20.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -243.990996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.990996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.990996 (E_RNA)
where:
Base-Base interactions energy: -154.694
where: short stacking energy: -73.910
Base-Backbone interact. energy: -1.883
local terms energy: -87.413554
where:
bonds (distance) C4'-P energy: -15.172
bonds (distance) P-C4' energy: -21.520
flat angles C4'-P-C4' energy: -22.043
flat angles P-C4'-P energy: -8.362
tors. eta vs tors. theta energy: -20.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -267.965723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.965723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.965723 (E_RNA)
where:
Base-Base interactions energy: -175.603
where: short stacking energy: -81.917
Base-Backbone interact. energy: -0.301
local terms energy: -92.061663
where:
bonds (distance) C4'-P energy: -23.924
bonds (distance) P-C4' energy: -23.468
flat angles C4'-P-C4' energy: -16.264
flat angles P-C4'-P energy: -12.177
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: 10, replica: 3
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -190.523528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.523528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.523528 (E_RNA)
where:
Base-Base interactions energy: -116.840
where: short stacking energy: -54.508
Base-Backbone interact. energy: 1.340
local terms energy: -75.023470
where:
bonds (distance) C4'-P energy: -22.637
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -17.410
flat angles P-C4'-P energy: -13.214
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: 1, replica: 4
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -335.762684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.762684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.762684 (E_RNA)
where:
Base-Base interactions energy: -229.961
where: short stacking energy: -97.107
Base-Backbone interact. energy: -0.248
local terms energy: -105.554042
where:
bonds (distance) C4'-P energy: -23.601
bonds (distance) P-C4' energy: -23.247
flat angles C4'-P-C4' energy: -23.299
flat angles P-C4'-P energy: -10.690
tors. eta vs tors. theta energy: -24.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -356.885122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.885122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.885122 (E_RNA)
where:
Base-Base interactions energy: -242.416
where: short stacking energy: -103.859
Base-Backbone interact. energy: -0.163
local terms energy: -114.306274
where:
bonds (distance) C4'-P energy: -22.953
bonds (distance) P-C4' energy: -22.771
flat angles C4'-P-C4' energy: -25.931
flat angles P-C4'-P energy: -13.031
tors. eta vs tors. theta energy: -29.620
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: 8
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -340.017061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.017061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.017061 (E_RNA)
where:
Base-Base interactions energy: -229.355
where: short stacking energy: -110.314
Base-Backbone interact. energy: -0.797
local terms energy: -109.864323
where:
bonds (distance) C4'-P energy: -19.005
bonds (distance) P-C4' energy: -21.904
flat angles C4'-P-C4' energy: -24.355
flat angles P-C4'-P energy: -17.422
tors. eta vs tors. theta energy: -27.179
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: 10
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -316.688882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.688882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.688882 (E_RNA)
where:
Base-Base interactions energy: -207.585
where: short stacking energy: -85.348
Base-Backbone interact. energy: -0.168
local terms energy: -108.936081
where:
bonds (distance) C4'-P energy: -19.554
bonds (distance) P-C4' energy: -21.855
flat angles C4'-P-C4' energy: -21.074
flat angles P-C4'-P energy: -17.560
tors. eta vs tors. theta energy: -28.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -279.170525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.170525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.170525 (E_RNA)
where:
Base-Base interactions energy: -177.105
where: short stacking energy: -86.612
Base-Backbone interact. energy: -0.007
local terms energy: -102.059361
where:
bonds (distance) C4'-P energy: -15.235
bonds (distance) P-C4' energy: -24.060
flat angles C4'-P-C4' energy: -20.578
flat angles P-C4'-P energy: -16.777
tors. eta vs tors. theta energy: -25.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -249.012681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.012681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.012681 (E_RNA)
where:
Base-Base interactions energy: -154.216
where: short stacking energy: -61.925
Base-Backbone interact. energy: 0.424
local terms energy: -95.220797
where:
bonds (distance) C4'-P energy: -19.288
bonds (distance) P-C4' energy: -25.606
flat angles C4'-P-C4' energy: -19.012
flat angles P-C4'-P energy: -16.294
tors. eta vs tors. theta energy: -15.020
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: 6
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -259.848563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.848563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.848563 (E_RNA)
where:
Base-Base interactions energy: -167.694
where: short stacking energy: -83.613
Base-Backbone interact. energy: 0.913
local terms energy: -93.067597
where:
bonds (distance) C4'-P energy: -22.220
bonds (distance) P-C4' energy: -18.455
flat angles C4'-P-C4' energy: -23.888
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: -17.494
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: 1
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -230.358362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.358362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.358362 (E_RNA)
where:
Base-Base interactions energy: -146.224
where: short stacking energy: -61.386
Base-Backbone interact. energy: -0.325
local terms energy: -83.808889
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -23.442
flat angles C4'-P-C4' energy: -19.316
flat angles P-C4'-P energy: -13.548
tors. eta vs tors. theta energy: -10.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -254.026968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.026968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.026968 (E_RNA)
where:
Base-Base interactions energy: -171.860
where: short stacking energy: -80.468
Base-Backbone interact. energy: -1.326
local terms energy: -80.841134
where:
bonds (distance) C4'-P energy: -15.777
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -20.664
flat angles P-C4'-P energy: -11.194
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: 10, replica: 3
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -208.227161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.227161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.227161 (E_RNA)
where:
Base-Base interactions energy: -131.601
where: short stacking energy: -62.086
Base-Backbone interact. energy: -0.521
local terms energy: -76.104400
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -16.832
flat angles C4'-P-C4' energy: -18.677
flat angles P-C4'-P energy: -13.715
tors. eta vs tors. theta energy: -12.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -354.772165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.772165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.772165 (E_RNA)
where:
Base-Base interactions energy: -240.853
where: short stacking energy: -103.259
Base-Backbone interact. energy: -0.196
local terms energy: -113.722823
where:
bonds (distance) C4'-P energy: -20.863
bonds (distance) P-C4' energy: -23.976
flat angles C4'-P-C4' energy: -25.219
flat angles P-C4'-P energy: -15.855
tors. eta vs tors. theta energy: -27.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -328.309695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.309695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.309695 (E_RNA)
where:
Base-Base interactions energy: -225.587
where: short stacking energy: -95.204
Base-Backbone interact. energy: -0.323
local terms energy: -102.399885
where:
bonds (distance) C4'-P energy: -19.808
bonds (distance) P-C4' energy: -23.907
flat angles C4'-P-C4' energy: -24.792
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -23.042
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: 146
Temperature: 1.000000
Total energy: -340.964246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.964246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.964246 (E_RNA)
where:
Base-Base interactions energy: -227.875
where: short stacking energy: -100.095
Base-Backbone interact. energy: -0.256
local terms energy: -112.833528
where:
bonds (distance) C4'-P energy: -22.985
bonds (distance) P-C4' energy: -24.589
flat angles C4'-P-C4' energy: -17.688
flat angles P-C4'-P energy: -17.517
tors. eta vs tors. theta energy: -30.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -284.845889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.845889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.845889 (E_RNA)
where:
Base-Base interactions energy: -182.881
where: short stacking energy: -76.517
Base-Backbone interact. energy: -0.836
local terms energy: -101.128553
where:
bonds (distance) C4'-P energy: -20.739
bonds (distance) P-C4' energy: -22.104
flat angles C4'-P-C4' energy: -24.175
flat angles P-C4'-P energy: -14.659
tors. eta vs tors. theta energy: -19.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -293.862086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.862086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.862086 (E_RNA)
where:
Base-Base interactions energy: -192.742
where: short stacking energy: -90.052
Base-Backbone interact. energy: -0.199
local terms energy: -100.921692
where:
bonds (distance) C4'-P energy: -21.369
bonds (distance) P-C4' energy: -24.337
flat angles C4'-P-C4' energy: -22.695
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -20.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -259.430530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.430530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.430530 (E_RNA)
where:
Base-Base interactions energy: -166.090
where: short stacking energy: -69.844
Base-Backbone interact. energy: -0.132
local terms energy: -93.208339
where:
bonds (distance) C4'-P energy: -22.898
bonds (distance) P-C4' energy: -17.339
flat angles C4'-P-C4' energy: -20.873
flat angles P-C4'-P energy: -15.808
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: 7, replica: 6
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -279.087108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.087108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.087108 (E_RNA)
where:
Base-Base interactions energy: -194.144
where: short stacking energy: -60.518
Base-Backbone interact. energy: 0.092
local terms energy: -85.035048
where:
bonds (distance) C4'-P energy: -21.694
bonds (distance) P-C4' energy: -16.898
flat angles C4'-P-C4' energy: -17.713
flat angles P-C4'-P energy: -9.836
tors. eta vs tors. theta energy: -18.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -198.945866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.945866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.945866 (E_RNA)
where:
Base-Base interactions energy: -125.890
where: short stacking energy: -55.218
Base-Backbone interact. energy: -0.335
local terms energy: -72.720904
where:
bonds (distance) C4'-P energy: -20.311
bonds (distance) P-C4' energy: -20.224
flat angles C4'-P-C4' energy: -18.170
flat angles P-C4'-P energy: -8.128
tors. eta vs tors. theta energy: -5.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -220.057086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.057086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.057086 (E_RNA)
where:
Base-Base interactions energy: -140.682
where: short stacking energy: -64.545
Base-Backbone interact. energy: -0.306
local terms energy: -79.069029
where:
bonds (distance) C4'-P energy: -16.923
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -19.829
flat angles P-C4'-P energy: -11.892
tors. eta vs tors. theta energy: -14.565
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: 3
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -219.958306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.958306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.958306 (E_RNA)
where:
Base-Base interactions energy: -140.667
where: short stacking energy: -58.683
Base-Backbone interact. energy: -0.081
local terms energy: -79.209869
where:
bonds (distance) C4'-P energy: -11.814
bonds (distance) P-C4' energy: -21.197
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -16.476
tors. eta vs tors. theta energy: -13.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -363.635002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.635002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.635002 (E_RNA)
where:
Base-Base interactions energy: -250.711
where: short stacking energy: -108.753
Base-Backbone interact. energy: 0.196
local terms energy: -113.120209
where:
bonds (distance) C4'-P energy: -17.288
bonds (distance) P-C4' energy: -21.572
flat angles C4'-P-C4' energy: -22.425
flat angles P-C4'-P energy: -18.821
tors. eta vs tors. theta energy: -33.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -332.581713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.581713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.581713 (E_RNA)
where:
Base-Base interactions energy: -227.279
where: short stacking energy: -97.819
Base-Backbone interact. energy: -0.402
local terms energy: -104.900221
where:
bonds (distance) C4'-P energy: -22.339
bonds (distance) P-C4' energy: -21.053
flat angles C4'-P-C4' energy: -17.183
flat angles P-C4'-P energy: -18.616
tors. eta vs tors. theta energy: -25.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -315.650000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.650000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.650000 (E_RNA)
where:
Base-Base interactions energy: -202.580
where: short stacking energy: -88.450
Base-Backbone interact. energy: 0.057
local terms energy: -113.127070
where:
bonds (distance) C4'-P energy: -24.023
bonds (distance) P-C4' energy: -20.688
flat angles C4'-P-C4' energy: -26.527
flat angles P-C4'-P energy: -14.919
tors. eta vs tors. theta energy: -26.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -287.022613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.022613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.022613 (E_RNA)
where:
Base-Base interactions energy: -178.557
where: short stacking energy: -81.206
Base-Backbone interact. energy: 0.073
local terms energy: -108.538871
where:
bonds (distance) C4'-P energy: -19.470
bonds (distance) P-C4' energy: -22.692
flat angles C4'-P-C4' energy: -24.000
flat angles P-C4'-P energy: -17.375
tors. eta vs tors. theta energy: -25.003
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: 9
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -284.523720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.523720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.523720 (E_RNA)
where:
Base-Base interactions energy: -193.369
where: short stacking energy: -97.656
Base-Backbone interact. energy: -0.118
local terms energy: -91.036685
where:
bonds (distance) C4'-P energy: -21.068
bonds (distance) P-C4' energy: -19.508
flat angles C4'-P-C4' energy: -16.939
flat angles P-C4'-P energy: -12.540
tors. eta vs tors. theta energy: -20.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -267.854756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.854756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.854756 (E_RNA)
where:
Base-Base interactions energy: -178.777
where: short stacking energy: -71.742
Base-Backbone interact. energy: -0.377
local terms energy: -88.700709
where:
bonds (distance) C4'-P energy: -19.904
bonds (distance) P-C4' energy: -21.150
flat angles C4'-P-C4' energy: -19.303
flat angles P-C4'-P energy: -11.637
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: 7, replica: 2
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -248.783533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.783533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.783533 (E_RNA)
where:
Base-Base interactions energy: -163.809
where: short stacking energy: -78.423
Base-Backbone interact. energy: -0.569
local terms energy: -84.405809
where:
bonds (distance) C4'-P energy: -21.556
bonds (distance) P-C4' energy: -16.518
flat angles C4'-P-C4' energy: -21.333
flat angles P-C4'-P energy: -9.519
tors. eta vs tors. theta energy: -15.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -247.579358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.579358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.579358 (E_RNA)
where:
Base-Base interactions energy: -168.869
where: short stacking energy: -74.727
Base-Backbone interact. energy: -0.393
local terms energy: -78.317584
where:
bonds (distance) C4'-P energy: -18.687
bonds (distance) P-C4' energy: -13.461
flat angles C4'-P-C4' energy: -17.385
flat angles P-C4'-P energy: -17.232
tors. eta vs tors. theta energy: -11.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -234.355177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.355177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.355177 (E_RNA)
where:
Base-Base interactions energy: -143.407
where: short stacking energy: -65.622
Base-Backbone interact. energy: -0.062
local terms energy: -90.886002
where:
bonds (distance) C4'-P energy: -22.643
bonds (distance) P-C4' energy: -22.556
flat angles C4'-P-C4' energy: -22.131
flat angles P-C4'-P energy: -15.503
tors. eta vs tors. theta energy: -8.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -215.703731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.703731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.703731 (E_RNA)
where:
Base-Base interactions energy: -127.843
where: short stacking energy: -54.664
Base-Backbone interact. energy: -0.555
local terms energy: -87.306458
where:
bonds (distance) C4'-P energy: -25.187
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -24.270
flat angles P-C4'-P energy: -11.399
tors. eta vs tors. theta energy: -9.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -366.725235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.725235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.725235 (E_RNA)
where:
Base-Base interactions energy: -242.225
where: short stacking energy: -108.125
Base-Backbone interact. energy: -0.474
local terms energy: -124.025878
where:
bonds (distance) C4'-P energy: -21.977
bonds (distance) P-C4' energy: -23.946
flat angles C4'-P-C4' energy: -24.293
flat angles P-C4'-P energy: -16.852
tors. eta vs tors. theta energy: -36.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -327.908380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.908380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.908380 (E_RNA)
where:
Base-Base interactions energy: -223.174
where: short stacking energy: -96.936
Base-Backbone interact. energy: -0.152
local terms energy: -104.582715
where:
bonds (distance) C4'-P energy: -20.545
bonds (distance) P-C4' energy: -18.360
flat angles C4'-P-C4' energy: -20.323
flat angles P-C4'-P energy: -20.207
tors. eta vs tors. theta energy: -25.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -312.754605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.754605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.754605 (E_RNA)
where:
Base-Base interactions energy: -209.176
where: short stacking energy: -97.966
Base-Backbone interact. energy: -0.654
local terms energy: -102.925164
where:
bonds (distance) C4'-P energy: -18.736
bonds (distance) P-C4' energy: -20.837
flat angles C4'-P-C4' energy: -18.148
flat angles P-C4'-P energy: -17.576
tors. eta vs tors. theta energy: -27.628
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: 4
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -314.631616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.631616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.631616 (E_RNA)
where:
Base-Base interactions energy: -209.424
where: short stacking energy: -94.222
Base-Backbone interact. energy: -0.148
local terms energy: -105.060240
where:
bonds (distance) C4'-P energy: -18.521
bonds (distance) P-C4' energy: -23.065
flat angles C4'-P-C4' energy: -26.391
flat angles P-C4'-P energy: -12.742
tors. eta vs tors. theta energy: -24.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -284.852849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.852849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.852849 (E_RNA)
where:
Base-Base interactions energy: -177.956
where: short stacking energy: -89.602
Base-Backbone interact. energy: -0.287
local terms energy: -106.609934
where:
bonds (distance) C4'-P energy: -18.515
bonds (distance) P-C4' energy: -22.757
flat angles C4'-P-C4' energy: -22.323
flat angles P-C4'-P energy: -18.983
tors. eta vs tors. theta energy: -24.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -278.682508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.682508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.682508 (E_RNA)
where:
Base-Base interactions energy: -176.146
where: short stacking energy: -75.917
Base-Backbone interact. energy: 1.185
local terms energy: -103.721508
where:
bonds (distance) C4'-P energy: -17.197
bonds (distance) P-C4' energy: -27.048
flat angles C4'-P-C4' energy: -21.216
flat angles P-C4'-P energy: -17.377
tors. eta vs tors. theta energy: -20.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -244.385499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.385499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.385499 (E_RNA)
where:
Base-Base interactions energy: -159.740
where: short stacking energy: -64.127
Base-Backbone interact. energy: -0.207
local terms energy: -84.438180
where:
bonds (distance) C4'-P energy: -16.053
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -21.344
flat angles P-C4'-P energy: -12.979
tors. eta vs tors. theta energy: -17.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -238.286847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.286847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.286847 (E_RNA)
where:
Base-Base interactions energy: -154.687
where: short stacking energy: -73.448
Base-Backbone interact. energy: -0.523
local terms energy: -83.077134
where:
bonds (distance) C4'-P energy: -19.062
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -18.801
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -17.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -219.845158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.845158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.845158 (E_RNA)
where:
Base-Base interactions energy: -131.183
where: short stacking energy: -61.593
Base-Backbone interact. energy: -0.103
local terms energy: -88.558810
where:
bonds (distance) C4'-P energy: -21.421
bonds (distance) P-C4' energy: -20.978
flat angles C4'-P-C4' energy: -23.466
flat angles P-C4'-P energy: -15.667
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: 10, replica: 3
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -174.648754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.648754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.648754 (E_RNA)
where:
Base-Base interactions energy: -102.342
where: short stacking energy: -42.637
Base-Backbone interact. energy: -0.417
local terms energy: -71.889779
where:
bonds (distance) C4'-P energy: -20.285
bonds (distance) P-C4' energy: -18.167
flat angles C4'-P-C4' energy: -22.510
flat angles P-C4'-P energy: -12.197
tors. eta vs tors. theta energy: 1.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -373.226121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.226121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.226121 (E_RNA)
where:
Base-Base interactions energy: -252.233
where: short stacking energy: -115.892
Base-Backbone interact. energy: 0.148
local terms energy: -121.141033
where:
bonds (distance) C4'-P energy: -21.667
bonds (distance) P-C4' energy: -25.032
flat angles C4'-P-C4' energy: -26.590
flat angles P-C4'-P energy: -14.739
tors. eta vs tors. theta energy: -33.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -339.455550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.455550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.455550 (E_RNA)
where:
Base-Base interactions energy: -233.433
where: short stacking energy: -95.225
Base-Backbone interact. energy: -0.605
local terms energy: -105.416919
where:
bonds (distance) C4'-P energy: -18.425
bonds (distance) P-C4' energy: -20.901
flat angles C4'-P-C4' energy: -24.123
flat angles P-C4'-P energy: -14.276
tors. eta vs tors. theta energy: -27.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -308.471703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.471703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.471703 (E_RNA)
where:
Base-Base interactions energy: -199.791
where: short stacking energy: -100.748
Base-Backbone interact. energy: -0.013
local terms energy: -108.667625
where:
bonds (distance) C4'-P energy: -19.941
bonds (distance) P-C4' energy: -25.090
flat angles C4'-P-C4' energy: -21.315
flat angles P-C4'-P energy: -11.675
tors. eta vs tors. theta energy: -30.647
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: 4
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -321.320254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.320254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.320254 (E_RNA)
where:
Base-Base interactions energy: -210.523
where: short stacking energy: -102.741
Base-Backbone interact. energy: -1.424
local terms energy: -109.373047
where:
bonds (distance) C4'-P energy: -18.081
bonds (distance) P-C4' energy: -21.699
flat angles C4'-P-C4' energy: -24.147
flat angles P-C4'-P energy: -16.333
tors. eta vs tors. theta energy: -29.114
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: 5, replica: 6
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -280.584467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.584467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.584467 (E_RNA)
where:
Base-Base interactions energy: -188.820
where: short stacking energy: -86.643
Base-Backbone interact. energy: -0.213
local terms energy: -91.551508
where:
bonds (distance) C4'-P energy: -23.231
bonds (distance) P-C4' energy: -20.922
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -12.348
tors. eta vs tors. theta energy: -19.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -278.609174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.609174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.609174 (E_RNA)
where:
Base-Base interactions energy: -202.819
where: short stacking energy: -83.548
Base-Backbone interact. energy: -0.936
local terms energy: -74.853973
where:
bonds (distance) C4'-P energy: -10.288
bonds (distance) P-C4' energy: -15.324
flat angles C4'-P-C4' energy: -19.403
flat angles P-C4'-P energy: -13.182
tors. eta vs tors. theta energy: -16.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -252.329869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.329869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.329869 (E_RNA)
where:
Base-Base interactions energy: -164.425
where: short stacking energy: -71.069
Base-Backbone interact. energy: -0.052
local terms energy: -87.852905
where:
bonds (distance) C4'-P energy: -23.634
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -17.067
tors. eta vs tors. theta energy: -16.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -248.142926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.142926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.142926 (E_RNA)
where:
Base-Base interactions energy: -152.412
where: short stacking energy: -68.087
Base-Backbone interact. energy: -0.080
local terms energy: -95.650449
where:
bonds (distance) C4'-P energy: -19.776
bonds (distance) P-C4' energy: -17.779
flat angles C4'-P-C4' energy: -22.539
flat angles P-C4'-P energy: -17.713
tors. eta vs tors. theta energy: -17.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -220.223164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.223164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.223164 (E_RNA)
where:
Base-Base interactions energy: -136.567
where: short stacking energy: -65.974
Base-Backbone interact. energy: -0.187
local terms energy: -83.470003
where:
bonds (distance) C4'-P energy: -17.842
bonds (distance) P-C4' energy: -21.817
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -15.416
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: 10, replica: 3
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -197.976823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.976823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.976823 (E_RNA)
where:
Base-Base interactions energy: -111.016
where: short stacking energy: -55.511
Base-Backbone interact. energy: 0.196
local terms energy: -87.156736
where:
bonds (distance) C4'-P energy: -23.794
bonds (distance) P-C4' energy: -14.426
flat angles C4'-P-C4' energy: -25.484
flat angles P-C4'-P energy: -15.644
tors. eta vs tors. theta energy: -7.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -366.423120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.423120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.423120 (E_RNA)
where:
Base-Base interactions energy: -238.491
where: short stacking energy: -100.365
Base-Backbone interact. energy: -0.297
local terms energy: -127.635470
where:
bonds (distance) C4'-P energy: -24.040
bonds (distance) P-C4' energy: -23.924
flat angles C4'-P-C4' energy: -26.991
flat angles P-C4'-P energy: -18.254
tors. eta vs tors. theta energy: -34.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -339.390638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.390638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.390638 (E_RNA)
where:
Base-Base interactions energy: -224.373
where: short stacking energy: -97.901
Base-Backbone interact. energy: -1.231
local terms energy: -113.786684
where:
bonds (distance) C4'-P energy: -20.873
bonds (distance) P-C4' energy: -23.793
flat angles C4'-P-C4' energy: -27.352
flat angles P-C4'-P energy: -13.495
tors. eta vs tors. theta energy: -28.274
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: 3, replica: 4
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -325.819463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.819463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.819463 (E_RNA)
where:
Base-Base interactions energy: -207.473
where: short stacking energy: -97.660
Base-Backbone interact. energy: -0.483
local terms energy: -117.862691
where:
bonds (distance) C4'-P energy: -24.269
bonds (distance) P-C4' energy: -21.673
flat angles C4'-P-C4' energy: -26.872
flat angles P-C4'-P energy: -16.902
tors. eta vs tors. theta energy: -28.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -290.284414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.284414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.284414 (E_RNA)
where:
Base-Base interactions energy: -176.169
where: short stacking energy: -88.590
Base-Backbone interact. energy: -1.041
local terms energy: -113.074366
where:
bonds (distance) C4'-P energy: -21.854
bonds (distance) P-C4' energy: -25.473
flat angles C4'-P-C4' energy: -22.750
flat angles P-C4'-P energy: -18.463
tors. eta vs tors. theta energy: -24.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -297.895110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.895110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.895110 (E_RNA)
where:
Base-Base interactions energy: -193.204
where: short stacking energy: -86.686
Base-Backbone interact. energy: -0.451
local terms energy: -104.240896
where:
bonds (distance) C4'-P energy: -16.262
bonds (distance) P-C4' energy: -22.714
flat angles C4'-P-C4' energy: -23.353
flat angles P-C4'-P energy: -16.465
tors. eta vs tors. theta energy: -25.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -276.590959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.590959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.590959 (E_RNA)
where:
Base-Base interactions energy: -187.490
where: short stacking energy: -87.528
Base-Backbone interact. energy: -0.295
local terms energy: -88.805229
where:
bonds (distance) C4'-P energy: -14.862
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -25.049
flat angles P-C4'-P energy: -14.354
tors. eta vs tors. theta energy: -18.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -244.013318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.013318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.013318 (E_RNA)
where:
Base-Base interactions energy: -156.073
where: short stacking energy: -66.221
Base-Backbone interact. energy: -0.086
local terms energy: -87.854231
where:
bonds (distance) C4'-P energy: -19.938
bonds (distance) P-C4' energy: -22.422
flat angles C4'-P-C4' energy: -18.598
flat angles P-C4'-P energy: -9.415
tors. eta vs tors. theta energy: -17.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -238.773695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.773695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.773695 (E_RNA)
where:
Base-Base interactions energy: -151.350
where: short stacking energy: -67.433
Base-Backbone interact. energy: -0.042
local terms energy: -87.382117
where:
bonds (distance) C4'-P energy: -20.354
bonds (distance) P-C4' energy: -21.421
flat angles C4'-P-C4' energy: -17.033
flat angles P-C4'-P energy: -16.451
tors. eta vs tors. theta energy: -12.124
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: 3
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -212.882322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.882322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.882322 (E_RNA)
where:
Base-Base interactions energy: -128.271
where: short stacking energy: -69.912
Base-Backbone interact. energy: 1.360
local terms energy: -85.971129
where:
bonds (distance) C4'-P energy: -14.890
bonds (distance) P-C4' energy: -18.674
flat angles C4'-P-C4' energy: -24.819
flat angles P-C4'-P energy: -15.484
tors. eta vs tors. theta energy: -12.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -182.320326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.320326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.320326 (E_RNA)
where:
Base-Base interactions energy: -106.972
where: short stacking energy: -49.743
Base-Backbone interact. energy: -0.128
local terms energy: -75.220031
where:
bonds (distance) C4'-P energy: -18.235
bonds (distance) P-C4' energy: -21.955
flat angles C4'-P-C4' energy: -20.395
flat angles P-C4'-P energy: -5.690
tors. eta vs tors. theta energy: -8.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -374.303981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.303981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.303981 (E_RNA)
where:
Base-Base interactions energy: -253.750
where: short stacking energy: -101.756
Base-Backbone interact. energy: -0.006
local terms energy: -120.548033
where:
bonds (distance) C4'-P energy: -23.051
bonds (distance) P-C4' energy: -23.224
flat angles C4'-P-C4' energy: -24.339
flat angles P-C4'-P energy: -14.478
tors. eta vs tors. theta energy: -35.457
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: 10
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -353.192895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.192895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.192895 (E_RNA)
where:
Base-Base interactions energy: -237.510
where: short stacking energy: -90.803
Base-Backbone interact. energy: -0.599
local terms energy: -115.083855
where:
bonds (distance) C4'-P energy: -24.579
bonds (distance) P-C4' energy: -19.455
flat angles C4'-P-C4' energy: -23.013
flat angles P-C4'-P energy: -16.328
tors. eta vs tors. theta energy: -31.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -321.393983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.393983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.393983 (E_RNA)
where:
Base-Base interactions energy: -216.194
where: short stacking energy: -94.105
Base-Backbone interact. energy: -0.271
local terms energy: -104.929559
where:
bonds (distance) C4'-P energy: -24.432
bonds (distance) P-C4' energy: -21.315
flat angles C4'-P-C4' energy: -19.487
flat angles P-C4'-P energy: -18.185
tors. eta vs tors. theta energy: -21.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -286.557316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.557316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.557316 (E_RNA)
where:
Base-Base interactions energy: -179.732
where: short stacking energy: -89.731
Base-Backbone interact. energy: -0.355
local terms energy: -106.470064
where:
bonds (distance) C4'-P energy: -24.689
bonds (distance) P-C4' energy: -23.263
flat angles C4'-P-C4' energy: -20.752
flat angles P-C4'-P energy: -18.419
tors. eta vs tors. theta energy: -19.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -294.421948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.421948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.421948 (E_RNA)
where:
Base-Base interactions energy: -191.178
where: short stacking energy: -84.634
Base-Backbone interact. energy: -0.432
local terms energy: -102.811833
where:
bonds (distance) C4'-P energy: -17.717
bonds (distance) P-C4' energy: -23.837
flat angles C4'-P-C4' energy: -22.386
flat angles P-C4'-P energy: -14.121
tors. eta vs tors. theta energy: -24.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -268.421408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.421408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.421408 (E_RNA)
where:
Base-Base interactions energy: -180.297
where: short stacking energy: -86.962
Base-Backbone interact. energy: -0.566
local terms energy: -87.558033
where:
bonds (distance) C4'-P energy: -8.630
bonds (distance) P-C4' energy: -21.505
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -16.293
tors. eta vs tors. theta energy: -24.473
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: 151
Temperature: 1.200000
Total energy: -246.811290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.811290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.811290 (E_RNA)
where:
Base-Base interactions energy: -166.848
where: short stacking energy: -81.695
Base-Backbone interact. energy: -0.610
local terms energy: -79.353864
where:
bonds (distance) C4'-P energy: -22.122
bonds (distance) P-C4' energy: -15.528
flat angles C4'-P-C4' energy: -16.850
flat angles P-C4'-P energy: -7.295
tors. eta vs tors. theta energy: -17.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -240.674682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.674682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.674682 (E_RNA)
where:
Base-Base interactions energy: -152.521
where: short stacking energy: -66.906
Base-Backbone interact. energy: 1.017
local terms energy: -89.170213
where:
bonds (distance) C4'-P energy: -24.196
bonds (distance) P-C4' energy: -20.825
flat angles C4'-P-C4' energy: -16.197
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: -15.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -201.715485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.715485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.715485 (E_RNA)
where:
Base-Base interactions energy: -120.959
where: short stacking energy: -50.310
Base-Backbone interact. energy: 0.733
local terms energy: -81.488859
where:
bonds (distance) C4'-P energy: -23.845
bonds (distance) P-C4' energy: -17.356
flat angles C4'-P-C4' energy: -21.649
flat angles P-C4'-P energy: -11.849
tors. eta vs tors. theta energy: -6.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -209.408769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.408769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.408769 (E_RNA)
where:
Base-Base interactions energy: -128.640
where: short stacking energy: -66.075
Base-Backbone interact. energy: -0.430
local terms energy: -80.338776
where:
bonds (distance) C4'-P energy: -11.167
bonds (distance) P-C4' energy: -18.772
flat angles C4'-P-C4' energy: -25.125
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: -15.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -371.131987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.131987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.131987 (E_RNA)
where:
Base-Base interactions energy: -250.336
where: short stacking energy: -104.995
Base-Backbone interact. energy: -0.399
local terms energy: -120.396357
where:
bonds (distance) C4'-P energy: -21.787
bonds (distance) P-C4' energy: -24.915
flat angles C4'-P-C4' energy: -23.494
flat angles P-C4'-P energy: -18.282
tors. eta vs tors. theta energy: -31.919
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: 10
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -329.727849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.727849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.727849 (E_RNA)
where:
Base-Base interactions energy: -231.459
where: short stacking energy: -85.748
Base-Backbone interact. energy: -0.990
local terms energy: -97.278792
where:
bonds (distance) C4'-P energy: -18.632
bonds (distance) P-C4' energy: -20.833
flat angles C4'-P-C4' energy: -23.763
flat angles P-C4'-P energy: -14.782
tors. eta vs tors. theta energy: -19.268
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: 4
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -322.962164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.962164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.962164 (E_RNA)
where:
Base-Base interactions energy: -222.969
where: short stacking energy: -84.455
Base-Backbone interact. energy: -0.397
local terms energy: -99.596126
where:
bonds (distance) C4'-P energy: -22.578
bonds (distance) P-C4' energy: -21.015
flat angles C4'-P-C4' energy: -25.460
flat angles P-C4'-P energy: -9.288
tors. eta vs tors. theta energy: -21.256
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: 8
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -292.470982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.470982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.470982 (E_RNA)
where:
Base-Base interactions energy: -196.431
where: short stacking energy: -91.965
Base-Backbone interact. energy: -0.124
local terms energy: -95.916590
where:
bonds (distance) C4'-P energy: -15.997
bonds (distance) P-C4' energy: -26.575
flat angles C4'-P-C4' energy: -22.588
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: -21.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -273.905711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.905711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.905711 (E_RNA)
where:
Base-Base interactions energy: -172.172
where: short stacking energy: -87.908
Base-Backbone interact. energy: -0.176
local terms energy: -101.558496
where:
bonds (distance) C4'-P energy: -22.845
bonds (distance) P-C4' energy: -21.604
flat angles C4'-P-C4' energy: -22.400
flat angles P-C4'-P energy: -14.410
tors. eta vs tors. theta energy: -20.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -265.750156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.750156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.750156 (E_RNA)
where:
Base-Base interactions energy: -172.630
where: short stacking energy: -72.908
Base-Backbone interact. energy: -0.367
local terms energy: -92.752877
where:
bonds (distance) C4'-P energy: -21.751
bonds (distance) P-C4' energy: -16.067
flat angles C4'-P-C4' energy: -22.501
flat angles P-C4'-P energy: -18.543
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: 7, replica: 7
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -243.465025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.465025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.465025 (E_RNA)
where:
Base-Base interactions energy: -149.366
where: short stacking energy: -63.856
Base-Backbone interact. energy: -0.043
local terms energy: -94.055138
where:
bonds (distance) C4'-P energy: -19.652
bonds (distance) P-C4' energy: -25.213
flat angles C4'-P-C4' energy: -20.389
flat angles P-C4'-P energy: -11.592
tors. eta vs tors. theta energy: -17.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -235.253185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.253185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.253185 (E_RNA)
where:
Base-Base interactions energy: -160.669
where: short stacking energy: -70.991
Base-Backbone interact. energy: -0.167
local terms energy: -74.417550
where:
bonds (distance) C4'-P energy: -15.952
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -20.096
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -15.091
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: 1
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -200.723831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.723831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.723831 (E_RNA)
where:
Base-Base interactions energy: -122.191
where: short stacking energy: -54.501
Base-Backbone interact. energy: -0.498
local terms energy: -78.034803
where:
bonds (distance) C4'-P energy: -21.721
bonds (distance) P-C4' energy: -17.773
flat angles C4'-P-C4' energy: -18.664
flat angles P-C4'-P energy: -15.190
tors. eta vs tors. theta energy: -4.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -183.095471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.095471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.095471 (E_RNA)
where:
Base-Base interactions energy: -112.588
where: short stacking energy: -53.222
Base-Backbone interact. energy: 0.371
local terms energy: -70.878596
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -19.104
flat angles C4'-P-C4' energy: -17.413
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -9.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -366.820300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.820300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.820300 (E_RNA)
where:
Base-Base interactions energy: -249.607
where: short stacking energy: -104.588
Base-Backbone interact. energy: -0.033
local terms energy: -117.180878
where:
bonds (distance) C4'-P energy: -23.056
bonds (distance) P-C4' energy: -23.070
flat angles C4'-P-C4' energy: -24.599
flat angles P-C4'-P energy: -14.702
tors. eta vs tors. theta energy: -31.754
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: 10
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -346.838044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.838044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.838044 (E_RNA)
where:
Base-Base interactions energy: -245.784
where: short stacking energy: -97.416
Base-Backbone interact. energy: -0.821
local terms energy: -100.233565
where:
bonds (distance) C4'-P energy: -16.311
bonds (distance) P-C4' energy: -19.316
flat angles C4'-P-C4' energy: -25.097
flat angles P-C4'-P energy: -13.697
tors. eta vs tors. theta energy: -25.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -332.842983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.842983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.842983 (E_RNA)
where:
Base-Base interactions energy: -226.177
where: short stacking energy: -103.285
Base-Backbone interact. energy: -0.834
local terms energy: -105.831603
where:
bonds (distance) C4'-P energy: -12.837
bonds (distance) P-C4' energy: -23.732
flat angles C4'-P-C4' energy: -22.810
flat angles P-C4'-P energy: -15.676
tors. eta vs tors. theta energy: -30.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -272.590402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.590402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.590402 (E_RNA)
where:
Base-Base interactions energy: -173.696
where: short stacking energy: -79.079
Base-Backbone interact. energy: -0.090
local terms energy: -98.804654
where:
bonds (distance) C4'-P energy: -18.698
bonds (distance) P-C4' energy: -23.324
flat angles C4'-P-C4' energy: -20.876
flat angles P-C4'-P energy: -16.430
tors. eta vs tors. theta energy: -19.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -272.468482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.468482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.468482 (E_RNA)
where:
Base-Base interactions energy: -164.235
where: short stacking energy: -80.860
Base-Backbone interact. energy: -0.148
local terms energy: -108.085468
where:
bonds (distance) C4'-P energy: -24.705
bonds (distance) P-C4' energy: -24.288
flat angles C4'-P-C4' energy: -27.121
flat angles P-C4'-P energy: -15.217
tors. eta vs tors. theta energy: -16.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -273.626309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.626309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.626309 (E_RNA)
where:
Base-Base interactions energy: -184.375
where: short stacking energy: -70.397
Base-Backbone interact. energy: -0.528
local terms energy: -88.723089
where:
bonds (distance) C4'-P energy: -16.779
bonds (distance) P-C4' energy: -14.795
flat angles C4'-P-C4' energy: -21.747
flat angles P-C4'-P energy: -15.509
tors. eta vs tors. theta energy: -19.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -261.728491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.728491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.728491 (E_RNA)
where:
Base-Base interactions energy: -171.555
where: short stacking energy: -84.544
Base-Backbone interact. energy: -0.164
local terms energy: -90.009737
where:
bonds (distance) C4'-P energy: -19.672
bonds (distance) P-C4' energy: -20.134
flat angles C4'-P-C4' energy: -21.850
flat angles P-C4'-P energy: -11.464
tors. eta vs tors. theta energy: -16.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -208.675422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.675422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.675422 (E_RNA)
where:
Base-Base interactions energy: -117.346
where: short stacking energy: -66.761
Base-Backbone interact. energy: -0.397
local terms energy: -90.933142
where:
bonds (distance) C4'-P energy: -13.752
bonds (distance) P-C4' energy: -21.160
flat angles C4'-P-C4' energy: -21.230
flat angles P-C4'-P energy: -18.674
tors. eta vs tors. theta energy: -16.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -243.867057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.867057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.867057 (E_RNA)
where:
Base-Base interactions energy: -163.957
where: short stacking energy: -71.879
Base-Backbone interact. energy: 2.418
local terms energy: -82.328138
where:
bonds (distance) C4'-P energy: -18.572
bonds (distance) P-C4' energy: -18.614
flat angles C4'-P-C4' energy: -21.310
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: -15.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -207.779708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.779708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.779708 (E_RNA)
where:
Base-Base interactions energy: -138.189
where: short stacking energy: -70.652
Base-Backbone interact. energy: 0.824
local terms energy: -70.414346
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -19.127
flat angles C4'-P-C4' energy: -20.056
flat angles P-C4'-P energy: -9.120
tors. eta vs tors. theta energy: -7.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -349.216294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.216294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.216294 (E_RNA)
where:
Base-Base interactions energy: -242.631
where: short stacking energy: -100.512
Base-Backbone interact. energy: -0.499
local terms energy: -106.085953
where:
bonds (distance) C4'-P energy: -18.159
bonds (distance) P-C4' energy: -23.419
flat angles C4'-P-C4' energy: -22.933
flat angles P-C4'-P energy: -18.075
tors. eta vs tors. theta energy: -23.500
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: 5
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -363.972155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.972155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.972155 (E_RNA)
where:
Base-Base interactions energy: -247.253
where: short stacking energy: -103.827
Base-Backbone interact. energy: -0.504
local terms energy: -116.215385
where:
bonds (distance) C4'-P energy: -22.996
bonds (distance) P-C4' energy: -20.124
flat angles C4'-P-C4' energy: -23.693
flat angles P-C4'-P energy: -14.240
tors. eta vs tors. theta energy: -35.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -325.683905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.683905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.683905 (E_RNA)
where:
Base-Base interactions energy: -223.140
where: short stacking energy: -85.575
Base-Backbone interact. energy: -0.322
local terms energy: -102.221506
where:
bonds (distance) C4'-P energy: -18.476
bonds (distance) P-C4' energy: -26.647
flat angles C4'-P-C4' energy: -21.822
flat angles P-C4'-P energy: -15.901
tors. eta vs tors. theta energy: -19.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -278.886676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.886676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.886676 (E_RNA)
where:
Base-Base interactions energy: -179.681
where: short stacking energy: -91.136
Base-Backbone interact. energy: -0.425
local terms energy: -98.780639
where:
bonds (distance) C4'-P energy: -18.227
bonds (distance) P-C4' energy: -17.740
flat angles C4'-P-C4' energy: -21.102
flat angles P-C4'-P energy: -19.915
tors. eta vs tors. theta energy: -21.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -267.338617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.338617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.338617 (E_RNA)
where:
Base-Base interactions energy: -185.336
where: short stacking energy: -74.452
Base-Backbone interact. energy: -0.174
local terms energy: -81.828548
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -20.337
flat angles C4'-P-C4' energy: -23.976
flat angles P-C4'-P energy: -9.698
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: 8
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -261.402028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.402028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.402028 (E_RNA)
where:
Base-Base interactions energy: -167.992
where: short stacking energy: -70.717
Base-Backbone interact. energy: -0.104
local terms energy: -93.306183
where:
bonds (distance) C4'-P energy: -18.310
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -20.360
flat angles P-C4'-P energy: -17.813
tors. eta vs tors. theta energy: -18.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -265.843198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.843198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.843198 (E_RNA)
where:
Base-Base interactions energy: -182.520
where: short stacking energy: -73.952
Base-Backbone interact. energy: -0.473
local terms energy: -82.849876
where:
bonds (distance) C4'-P energy: -16.759
bonds (distance) P-C4' energy: -21.403
flat angles C4'-P-C4' energy: -20.210
flat angles P-C4'-P energy: -9.299
tors. eta vs tors. theta energy: -15.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -210.814366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.814366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.814366 (E_RNA)
where:
Base-Base interactions energy: -121.384
where: short stacking energy: -58.537
Base-Backbone interact. energy: -0.018
local terms energy: -89.412596
where:
bonds (distance) C4'-P energy: -22.824
bonds (distance) P-C4' energy: -20.727
flat angles C4'-P-C4' energy: -24.170
flat angles P-C4'-P energy: -11.453
tors. eta vs tors. theta energy: -10.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -237.987305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.987305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.987305 (E_RNA)
where:
Base-Base interactions energy: -151.281
where: short stacking energy: -71.189
Base-Backbone interact. energy: -0.237
local terms energy: -86.470043
where:
bonds (distance) C4'-P energy: -18.474
bonds (distance) P-C4' energy: -19.620
flat angles C4'-P-C4' energy: -23.170
flat angles P-C4'-P energy: -8.375
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: 10, replica: 6
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -199.121918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.121918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.121918 (E_RNA)
where:
Base-Base interactions energy: -125.856
where: short stacking energy: -63.314
Base-Backbone interact. energy: -0.119
local terms energy: -73.146466
where:
bonds (distance) C4'-P energy: -22.142
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -9.568
flat angles P-C4'-P energy: -9.077
tors. eta vs tors. theta energy: -16.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -350.269064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.269064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.269064 (E_RNA)
where:
Base-Base interactions energy: -241.853
where: short stacking energy: -92.566
Base-Backbone interact. energy: 0.783
local terms energy: -109.199270
where:
bonds (distance) C4'-P energy: -20.496
bonds (distance) P-C4' energy: -24.708
flat angles C4'-P-C4' energy: -22.419
flat angles P-C4'-P energy: -15.313
tors. eta vs tors. theta energy: -26.263
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: 5
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -361.668514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.668514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.668514 (E_RNA)
where:
Base-Base interactions energy: -240.074
where: short stacking energy: -98.993
Base-Backbone interact. energy: -0.109
local terms energy: -121.484883
where:
bonds (distance) C4'-P energy: -23.625
bonds (distance) P-C4' energy: -23.118
flat angles C4'-P-C4' energy: -24.280
flat angles P-C4'-P energy: -16.980
tors. eta vs tors. theta energy: -33.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -292.221214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.221214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.221214 (E_RNA)
where:
Base-Base interactions energy: -192.000
where: short stacking energy: -76.862
Base-Backbone interact. energy: -0.289
local terms energy: -99.932166
where:
bonds (distance) C4'-P energy: -23.648
bonds (distance) P-C4' energy: -22.571
flat angles C4'-P-C4' energy: -20.859
flat angles P-C4'-P energy: -16.822
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: 4, replica: 7
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -279.802515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.802515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.802515 (E_RNA)
where:
Base-Base interactions energy: -184.865
where: short stacking energy: -81.134
Base-Backbone interact. energy: -0.139
local terms energy: -94.798435
where:
bonds (distance) C4'-P energy: -22.629
bonds (distance) P-C4' energy: -20.452
flat angles C4'-P-C4' energy: -19.980
flat angles P-C4'-P energy: -10.387
tors. eta vs tors. theta energy: -21.352
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: 2
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -273.639489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.639489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.639489 (E_RNA)
where:
Base-Base interactions energy: -183.014
where: short stacking energy: -84.425
Base-Backbone interact. energy: -0.162
local terms energy: -90.463607
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -21.428
flat angles C4'-P-C4' energy: -23.322
flat angles P-C4'-P energy: -9.873
tors. eta vs tors. theta energy: -22.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -276.890813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.890813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.890813 (E_RNA)
where:
Base-Base interactions energy: -186.332
where: short stacking energy: -87.164
Base-Backbone interact. energy: -0.047
local terms energy: -90.512131
where:
bonds (distance) C4'-P energy: -13.815
bonds (distance) P-C4' energy: -19.862
flat angles C4'-P-C4' energy: -22.173
flat angles P-C4'-P energy: -12.379
tors. eta vs tors. theta energy: -22.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -275.285731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.285731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.285731 (E_RNA)
where:
Base-Base interactions energy: -191.210
where: short stacking energy: -69.656
Base-Backbone interact. energy: -0.514
local terms energy: -83.562087
where:
bonds (distance) C4'-P energy: -18.177
bonds (distance) P-C4' energy: -12.836
flat angles C4'-P-C4' energy: -20.176
flat angles P-C4'-P energy: -15.240
tors. eta vs tors. theta energy: -17.133
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: 155
Temperature: 1.250000
Total energy: -192.929122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.929122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.929122 (E_RNA)
where:
Base-Base interactions energy: -111.046
where: short stacking energy: -64.260
Base-Backbone interact. energy: -0.339
local terms energy: -81.543861
where:
bonds (distance) C4'-P energy: -22.203
bonds (distance) P-C4' energy: -18.875
flat angles C4'-P-C4' energy: -21.931
flat angles P-C4'-P energy: -9.331
tors. eta vs tors. theta energy: -9.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -204.156995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.156995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.156995 (E_RNA)
where:
Base-Base interactions energy: -142.204
where: short stacking energy: -66.349
Base-Backbone interact. energy: -1.045
local terms energy: -60.907651
where:
bonds (distance) C4'-P energy: -12.320
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -19.396
flat angles P-C4'-P energy: -1.508
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: 10, replica: 6
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -192.315587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.315587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.315587 (E_RNA)
where:
Base-Base interactions energy: -109.717
where: short stacking energy: -60.005
Base-Backbone interact. energy: -0.277
local terms energy: -82.321219
where:
bonds (distance) C4'-P energy: -21.427
bonds (distance) P-C4' energy: -25.519
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -10.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -360.358285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.358285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.358285 (E_RNA)
where:
Base-Base interactions energy: -240.498
where: short stacking energy: -104.432
Base-Backbone interact. energy: -0.043
local terms energy: -119.817064
where:
bonds (distance) C4'-P energy: -25.401
bonds (distance) P-C4' energy: -24.959
flat angles C4'-P-C4' energy: -21.436
flat angles P-C4'-P energy: -17.324
tors. eta vs tors. theta energy: -30.698
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: 10
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -343.013041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.013041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.013041 (E_RNA)
where:
Base-Base interactions energy: -229.813
where: short stacking energy: -97.541
Base-Backbone interact. energy: -1.331
local terms energy: -111.868992
where:
bonds (distance) C4'-P energy: -22.379
bonds (distance) P-C4' energy: -25.159
flat angles C4'-P-C4' energy: -18.780
flat angles P-C4'-P energy: -18.658
tors. eta vs tors. theta energy: -26.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -300.034240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.034240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.034240 (E_RNA)
where:
Base-Base interactions energy: -200.688
where: short stacking energy: -91.823
Base-Backbone interact. energy: -0.039
local terms energy: -99.307095
where:
bonds (distance) C4'-P energy: -21.015
bonds (distance) P-C4' energy: -25.240
flat angles C4'-P-C4' energy: -19.542
flat angles P-C4'-P energy: -13.992
tors. eta vs tors. theta energy: -19.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -280.447314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.447314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.447314 (E_RNA)
where:
Base-Base interactions energy: -181.755
where: short stacking energy: -85.600
Base-Backbone interact. energy: -1.029
local terms energy: -97.663256
where:
bonds (distance) C4'-P energy: -17.714
bonds (distance) P-C4' energy: -21.362
flat angles C4'-P-C4' energy: -23.254
flat angles P-C4'-P energy: -14.652
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: 5, replica: 9
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -288.883338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.883338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.883338 (E_RNA)
where:
Base-Base interactions energy: -188.525
where: short stacking energy: -83.082
Base-Backbone interact. energy: 1.487
local terms energy: -101.844530
where:
bonds (distance) C4'-P energy: -17.734
bonds (distance) P-C4' energy: -24.482
flat angles C4'-P-C4' energy: -20.877
flat angles P-C4'-P energy: -13.801
tors. eta vs tors. theta energy: -24.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -266.633954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.633954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.633954 (E_RNA)
where:
Base-Base interactions energy: -170.437
where: short stacking energy: -76.132
Base-Backbone interact. energy: -0.288
local terms energy: -95.908535
where:
bonds (distance) C4'-P energy: -18.815
bonds (distance) P-C4' energy: -20.520
flat angles C4'-P-C4' energy: -20.048
flat angles P-C4'-P energy: -15.402
tors. eta vs tors. theta energy: -21.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -257.172277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.172277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.172277 (E_RNA)
where:
Base-Base interactions energy: -162.523
where: short stacking energy: -72.220
Base-Backbone interact. energy: -0.823
local terms energy: -93.827109
where:
bonds (distance) C4'-P energy: -21.806
bonds (distance) P-C4' energy: -21.014
flat angles C4'-P-C4' energy: -20.459
flat angles P-C4'-P energy: -12.890
tors. eta vs tors. theta energy: -17.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -209.183501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.183501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.183501 (E_RNA)
where:
Base-Base interactions energy: -127.222
where: short stacking energy: -68.769
Base-Backbone interact. energy: 0.122
local terms energy: -82.083655
where:
bonds (distance) C4'-P energy: -17.732
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -20.156
flat angles P-C4'-P energy: -11.695
tors. eta vs tors. theta energy: -16.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -191.722786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.722786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.722786 (E_RNA)
where:
Base-Base interactions energy: -122.903
where: short stacking energy: -64.585
Base-Backbone interact. energy: -0.242
local terms energy: -68.577358
where:
bonds (distance) C4'-P energy: -21.786
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -16.262
flat angles P-C4'-P energy: -8.541
tors. eta vs tors. theta energy: -5.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -183.894732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.894732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.894732 (E_RNA)
where:
Base-Base interactions energy: -107.521
where: short stacking energy: -53.364
Base-Backbone interact. energy: 2.486
local terms energy: -78.860127
where:
bonds (distance) C4'-P energy: -22.086
bonds (distance) P-C4' energy: -17.857
flat angles C4'-P-C4' energy: -18.827
flat angles P-C4'-P energy: -13.513
tors. eta vs tors. theta energy: -6.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -364.523857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.523857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.523857 (E_RNA)
where:
Base-Base interactions energy: -245.959
where: short stacking energy: -105.828
Base-Backbone interact. energy: -0.011
local terms energy: -118.553621
where:
bonds (distance) C4'-P energy: -22.974
bonds (distance) P-C4' energy: -21.950
flat angles C4'-P-C4' energy: -27.429
flat angles P-C4'-P energy: -13.869
tors. eta vs tors. theta energy: -32.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -347.298936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.298936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.298936 (E_RNA)
where:
Base-Base interactions energy: -244.091
where: short stacking energy: -95.792
Base-Backbone interact. energy: -0.932
local terms energy: -102.276011
where:
bonds (distance) C4'-P energy: -20.906
bonds (distance) P-C4' energy: -19.215
flat angles C4'-P-C4' energy: -24.085
flat angles P-C4'-P energy: -13.360
tors. eta vs tors. theta energy: -24.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -305.346753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.346753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.346753 (E_RNA)
where:
Base-Base interactions energy: -204.252
where: short stacking energy: -82.533
Base-Backbone interact. energy: -0.417
local terms energy: -100.678463
where:
bonds (distance) C4'-P energy: -20.850
bonds (distance) P-C4' energy: -25.979
flat angles C4'-P-C4' energy: -18.984
flat angles P-C4'-P energy: -13.757
tors. eta vs tors. theta energy: -21.108
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: 9
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -291.103200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.103200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.103200 (E_RNA)
where:
Base-Base interactions energy: -192.926
where: short stacking energy: -91.788
Base-Backbone interact. energy: -0.127
local terms energy: -98.050032
where:
bonds (distance) C4'-P energy: -19.154
bonds (distance) P-C4' energy: -20.316
flat angles C4'-P-C4' energy: -25.661
flat angles P-C4'-P energy: -12.733
tors. eta vs tors. theta energy: -20.186
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: 4
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -306.497493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.497493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.497493 (E_RNA)
where:
Base-Base interactions energy: -206.492
where: short stacking energy: -90.449
Base-Backbone interact. energy: -0.886
local terms energy: -99.119327
where:
bonds (distance) C4'-P energy: -17.419
bonds (distance) P-C4' energy: -25.533
flat angles C4'-P-C4' energy: -21.467
flat angles P-C4'-P energy: -11.982
tors. eta vs tors. theta energy: -22.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -260.106377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.106377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.106377 (E_RNA)
where:
Base-Base interactions energy: -161.235
where: short stacking energy: -81.327
Base-Backbone interact. energy: -0.276
local terms energy: -98.595349
where:
bonds (distance) C4'-P energy: -15.143
bonds (distance) P-C4' energy: -19.651
flat angles C4'-P-C4' energy: -22.807
flat angles P-C4'-P energy: -16.903
tors. eta vs tors. theta energy: -24.092
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: 7, replica: 2
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -248.177511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.177511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.177511 (E_RNA)
where:
Base-Base interactions energy: -154.911
where: short stacking energy: -77.542
Base-Backbone interact. energy: -0.154
local terms energy: -93.112599
where:
bonds (distance) C4'-P energy: -20.794
bonds (distance) P-C4' energy: -23.787
flat angles C4'-P-C4' energy: -22.031
flat angles P-C4'-P energy: -8.613
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: 8, replica: 3
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -207.069026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.069026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.069026 (E_RNA)
where:
Base-Base interactions energy: -108.847
where: short stacking energy: -50.659
Base-Backbone interact. energy: -0.854
local terms energy: -97.367501
where:
bonds (distance) C4'-P energy: -23.526
bonds (distance) P-C4' energy: -23.979
flat angles C4'-P-C4' energy: -23.394
flat angles P-C4'-P energy: -15.687
tors. eta vs tors. theta energy: -10.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -199.928154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.928154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.928154 (E_RNA)
where:
Base-Base interactions energy: -113.965
where: short stacking energy: -57.533
Base-Backbone interact. energy: -1.081
local terms energy: -84.882482
where:
bonds (distance) C4'-P energy: -21.521
bonds (distance) P-C4' energy: -21.032
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -12.291
tors. eta vs tors. theta energy: -14.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -198.802236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.802236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.802236 (E_RNA)
where:
Base-Base interactions energy: -138.187
where: short stacking energy: -59.629
Base-Backbone interact. energy: 0.262
local terms energy: -60.877637
where:
bonds (distance) C4'-P energy: -18.419
bonds (distance) P-C4' energy: -11.578
flat angles C4'-P-C4' energy: -14.136
flat angles P-C4'-P energy: -6.401
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: 1, replica: 5
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -368.876566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.876566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.876566 (E_RNA)
where:
Base-Base interactions energy: -255.776
where: short stacking energy: -112.506
Base-Backbone interact. energy: -0.088
local terms energy: -113.012475
where:
bonds (distance) C4'-P energy: -23.262
bonds (distance) P-C4' energy: -23.850
flat angles C4'-P-C4' energy: -23.403
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -33.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -360.763763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.763763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.763763 (E_RNA)
where:
Base-Base interactions energy: -253.499
where: short stacking energy: -86.440
Base-Backbone interact. energy: 0.450
local terms energy: -107.714447
where:
bonds (distance) C4'-P energy: -18.603
bonds (distance) P-C4' energy: -22.729
flat angles C4'-P-C4' energy: -23.509
flat angles P-C4'-P energy: -16.814
tors. eta vs tors. theta energy: -26.059
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: 3, replica: 9
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -297.838850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.838850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.838850 (E_RNA)
where:
Base-Base interactions energy: -193.609
where: short stacking energy: -82.509
Base-Backbone interact. energy: -0.123
local terms energy: -104.106802
where:
bonds (distance) C4'-P energy: -22.676
bonds (distance) P-C4' energy: -25.808
flat angles C4'-P-C4' energy: -21.118
flat angles P-C4'-P energy: -13.436
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: 4, replica: 7
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -297.092333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.092333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.092333 (E_RNA)
where:
Base-Base interactions energy: -190.871
where: short stacking energy: -90.295
Base-Backbone interact. energy: 1.810
local terms energy: -108.030778
where:
bonds (distance) C4'-P energy: -21.137
bonds (distance) P-C4' energy: -24.250
flat angles C4'-P-C4' energy: -19.636
flat angles P-C4'-P energy: -20.236
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: 5, replica: 4
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -301.730231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.730231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.730231 (E_RNA)
where:
Base-Base interactions energy: -205.075
where: short stacking energy: -88.651
Base-Backbone interact. energy: 0.026
local terms energy: -96.681103
where:
bonds (distance) C4'-P energy: -19.502
bonds (distance) P-C4' energy: -23.450
flat angles C4'-P-C4' energy: -21.595
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -20.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -245.587374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.587374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.587374 (E_RNA)
where:
Base-Base interactions energy: -158.213
where: short stacking energy: -70.710
Base-Backbone interact. energy: -0.230
local terms energy: -87.144463
where:
bonds (distance) C4'-P energy: -17.049
bonds (distance) P-C4' energy: -20.938
flat angles C4'-P-C4' energy: -21.101
flat angles P-C4'-P energy: -15.035
tors. eta vs tors. theta energy: -13.023
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: 2
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -255.375693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.375693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.375693 (E_RNA)
where:
Base-Base interactions energy: -162.679
where: short stacking energy: -74.282
Base-Backbone interact. energy: -0.615
local terms energy: -92.082149
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -21.379
flat angles C4'-P-C4' energy: -16.462
flat angles P-C4'-P energy: -15.897
tors. eta vs tors. theta energy: -24.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -203.301074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.301074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.301074 (E_RNA)
where:
Base-Base interactions energy: -123.439
where: short stacking energy: -57.093
Base-Backbone interact. energy: -0.956
local terms energy: -78.906419
where:
bonds (distance) C4'-P energy: -17.676
bonds (distance) P-C4' energy: -20.691
flat angles C4'-P-C4' energy: -20.985
flat angles P-C4'-P energy: -12.983
tors. eta vs tors. theta energy: -6.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -230.002835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.002835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.002835 (E_RNA)
where:
Base-Base interactions energy: -144.808
where: short stacking energy: -61.311
Base-Backbone interact. energy: -0.388
local terms energy: -84.806322
where:
bonds (distance) C4'-P energy: -24.595
bonds (distance) P-C4' energy: -22.753
flat angles C4'-P-C4' energy: -17.277
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -10.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -187.889938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.889938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.889938 (E_RNA)
where:
Base-Base interactions energy: -108.736
where: short stacking energy: -46.779
Base-Backbone interact. energy: -0.289
local terms energy: -78.865102
where:
bonds (distance) C4'-P energy: -18.683
bonds (distance) P-C4' energy: -20.096
flat angles C4'-P-C4' energy: -20.137
flat angles P-C4'-P energy: -14.674
tors. eta vs tors. theta energy: -5.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -366.596287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.596287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.596287 (E_RNA)
where:
Base-Base interactions energy: -247.833
where: short stacking energy: -103.941
Base-Backbone interact. energy: -0.039
local terms energy: -118.724459
where:
bonds (distance) C4'-P energy: -24.794
bonds (distance) P-C4' energy: -26.462
flat angles C4'-P-C4' energy: -22.677
flat angles P-C4'-P energy: -15.442
tors. eta vs tors. theta energy: -29.350
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: 10
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -344.832021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.832021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.832021 (E_RNA)
where:
Base-Base interactions energy: -233.077
where: short stacking energy: -95.347
Base-Backbone interact. energy: -0.264
local terms energy: -111.490849
where:
bonds (distance) C4'-P energy: -20.521
bonds (distance) P-C4' energy: -22.983
flat angles C4'-P-C4' energy: -22.531
flat angles P-C4'-P energy: -20.093
tors. eta vs tors. theta energy: -25.362
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: 9
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -297.807345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.807345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.807345 (E_RNA)
where:
Base-Base interactions energy: -195.794
where: short stacking energy: -90.454
Base-Backbone interact. energy: 0.036
local terms energy: -102.049418
where:
bonds (distance) C4'-P energy: -22.249
bonds (distance) P-C4' energy: -19.363
flat angles C4'-P-C4' energy: -23.669
flat angles P-C4'-P energy: -16.436
tors. eta vs tors. theta energy: -20.333
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: 7
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -281.797421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.797421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.797421 (E_RNA)
where:
Base-Base interactions energy: -179.442
where: short stacking energy: -84.854
Base-Backbone interact. energy: -1.815
local terms energy: -100.540119
where:
bonds (distance) C4'-P energy: -18.364
bonds (distance) P-C4' energy: -27.284
flat angles C4'-P-C4' energy: -17.561
flat angles P-C4'-P energy: -12.389
tors. eta vs tors. theta energy: -24.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -295.549005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.549005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.549005 (E_RNA)
where:
Base-Base interactions energy: -191.285
where: short stacking energy: -80.054
Base-Backbone interact. energy: 0.203
local terms energy: -104.467564
where:
bonds (distance) C4'-P energy: -24.450
bonds (distance) P-C4' energy: -19.758
flat angles C4'-P-C4' energy: -22.464
flat angles P-C4'-P energy: -13.304
tors. eta vs tors. theta energy: -24.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -250.370619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.370619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.370619 (E_RNA)
where:
Base-Base interactions energy: -157.598
where: short stacking energy: -65.821
Base-Backbone interact. energy: -0.192
local terms energy: -92.581274
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -22.468
flat angles C4'-P-C4' energy: -23.215
flat angles P-C4'-P energy: -17.495
tors. eta vs tors. theta energy: -13.007
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: 8
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -246.835112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.835112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.835112 (E_RNA)
where:
Base-Base interactions energy: -152.906
where: short stacking energy: -70.124
Base-Backbone interact. energy: -0.317
local terms energy: -93.612140
where:
bonds (distance) C4'-P energy: -21.079
bonds (distance) P-C4' energy: -18.075
flat angles C4'-P-C4' energy: -22.020
flat angles P-C4'-P energy: -14.894
tors. eta vs tors. theta energy: -17.545
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: 6
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -233.699453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.699453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.699453 (E_RNA)
where:
Base-Base interactions energy: -155.144
where: short stacking energy: -62.950
Base-Backbone interact. energy: -0.057
local terms energy: -78.498266
where:
bonds (distance) C4'-P energy: -21.966
bonds (distance) P-C4' energy: -23.419
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -7.878
tors. eta vs tors. theta energy: -10.746
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: 3
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -195.370936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.370936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.370936 (E_RNA)
where:
Base-Base interactions energy: -110.464
where: short stacking energy: -57.040
Base-Backbone interact. energy: -0.694
local terms energy: -84.212965
where:
bonds (distance) C4'-P energy: -21.568
bonds (distance) P-C4' energy: -22.499
flat angles C4'-P-C4' energy: -20.394
flat angles P-C4'-P energy: -13.678
tors. eta vs tors. theta energy: -6.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -182.598900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.598900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.598900 (E_RNA)
where:
Base-Base interactions energy: -120.624
where: short stacking energy: -56.331
Base-Backbone interact. energy: -0.132
local terms energy: -61.842754
where:
bonds (distance) C4'-P energy: -17.737
bonds (distance) P-C4' energy: -26.090
flat angles C4'-P-C4' energy: -10.392
flat angles P-C4'-P energy: -6.550
tors. eta vs tors. theta energy: -1.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -350.855039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.855039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.855039 (E_RNA)
where:
Base-Base interactions energy: -242.507
where: short stacking energy: -95.857
Base-Backbone interact. energy: -0.842
local terms energy: -107.506120
where:
bonds (distance) C4'-P energy: -23.254
bonds (distance) P-C4' energy: -20.753
flat angles C4'-P-C4' energy: -24.597
flat angles P-C4'-P energy: -16.831
tors. eta vs tors. theta energy: -22.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -363.120537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.120537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.120537 (E_RNA)
where:
Base-Base interactions energy: -245.013
where: short stacking energy: -104.259
Base-Backbone interact. energy: -0.005
local terms energy: -118.102461
where:
bonds (distance) C4'-P energy: -22.069
bonds (distance) P-C4' energy: -23.042
flat angles C4'-P-C4' energy: -21.603
flat angles P-C4'-P energy: -19.375
tors. eta vs tors. theta energy: -32.014
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: 7
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -311.516477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.516477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.516477 (E_RNA)
where:
Base-Base interactions energy: -205.079
where: short stacking energy: -94.863
Base-Backbone interact. energy: -0.419
local terms energy: -106.019030
where:
bonds (distance) C4'-P energy: -19.585
bonds (distance) P-C4' energy: -22.180
flat angles C4'-P-C4' energy: -24.811
flat angles P-C4'-P energy: -11.939
tors. eta vs tors. theta energy: -27.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -302.786813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.786813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.786813 (E_RNA)
where:
Base-Base interactions energy: -199.980
where: short stacking energy: -79.768
Base-Backbone interact. energy: -0.160
local terms energy: -102.646472
where:
bonds (distance) C4'-P energy: -23.005
bonds (distance) P-C4' energy: -24.636
flat angles C4'-P-C4' energy: -19.613
flat angles P-C4'-P energy: -15.921
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: 5, replica: 4
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -297.749496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.749496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.749496 (E_RNA)
where:
Base-Base interactions energy: -205.002
where: short stacking energy: -71.595
Base-Backbone interact. energy: -0.351
local terms energy: -92.396068
where:
bonds (distance) C4'-P energy: -15.260
bonds (distance) P-C4' energy: -26.984
flat angles C4'-P-C4' energy: -22.911
flat angles P-C4'-P energy: -14.047
tors. eta vs tors. theta energy: -13.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -249.549967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.549967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.549967 (E_RNA)
where:
Base-Base interactions energy: -159.294
where: short stacking energy: -64.614
Base-Backbone interact. energy: -0.316
local terms energy: -89.939938
where:
bonds (distance) C4'-P energy: -21.978
bonds (distance) P-C4' energy: -21.918
flat angles C4'-P-C4' energy: -19.011
flat angles P-C4'-P energy: -11.432
tors. eta vs tors. theta energy: -15.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -258.217437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.217437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.217437 (E_RNA)
where:
Base-Base interactions energy: -167.956
where: short stacking energy: -84.378
Base-Backbone interact. energy: 0.601
local terms energy: -90.862235
where:
bonds (distance) C4'-P energy: -15.512
bonds (distance) P-C4' energy: -20.366
flat angles C4'-P-C4' energy: -18.556
flat angles P-C4'-P energy: -14.801
tors. eta vs tors. theta energy: -21.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -249.110620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.110620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.110620 (E_RNA)
where:
Base-Base interactions energy: -169.922
where: short stacking energy: -78.341
Base-Backbone interact. energy: 1.029
local terms energy: -80.217555
where:
bonds (distance) C4'-P energy: -12.261
bonds (distance) P-C4' energy: -16.316
flat angles C4'-P-C4' energy: -17.416
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: -22.907
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: 160
Temperature: 1.300000
Total energy: -196.001031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.001031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.001031 (E_RNA)
where:
Base-Base interactions energy: -112.384
where: short stacking energy: -58.319
Base-Backbone interact. energy: -0.146
local terms energy: -83.470976
where:
bonds (distance) C4'-P energy: -24.848
bonds (distance) P-C4' energy: -18.534
flat angles C4'-P-C4' energy: -15.573
flat angles P-C4'-P energy: -13.046
tors. eta vs tors. theta energy: -11.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -212.063728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.063728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.063728 (E_RNA)
where:
Base-Base interactions energy: -121.982
where: short stacking energy: -56.692
Base-Backbone interact. energy: -0.870
local terms energy: -89.211640
where:
bonds (distance) C4'-P energy: -21.178
bonds (distance) P-C4' energy: -19.421
flat angles C4'-P-C4' energy: -23.040
flat angles P-C4'-P energy: -13.389
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: 1, replica: 10
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -352.703807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.703807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.703807 (E_RNA)
where:
Base-Base interactions energy: -237.246
where: short stacking energy: -90.467
Base-Backbone interact. energy: -1.672
local terms energy: -113.786237
where:
bonds (distance) C4'-P energy: -25.375
bonds (distance) P-C4' energy: -23.113
flat angles C4'-P-C4' energy: -22.206
flat angles P-C4'-P energy: -18.525
tors. eta vs tors. theta energy: -24.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -372.054316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.054316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.054316 (E_RNA)
where:
Base-Base interactions energy: -257.728
where: short stacking energy: -109.874
Base-Backbone interact. energy: -0.019
local terms energy: -114.307633
where:
bonds (distance) C4'-P energy: -21.848
bonds (distance) P-C4' energy: -21.454
flat angles C4'-P-C4' energy: -22.417
flat angles P-C4'-P energy: -13.658
tors. eta vs tors. theta energy: -34.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -314.616880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.616880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.616880 (E_RNA)
where:
Base-Base interactions energy: -214.135
where: short stacking energy: -98.672
Base-Backbone interact. energy: -0.028
local terms energy: -100.454123
where:
bonds (distance) C4'-P energy: -18.683
bonds (distance) P-C4' energy: -23.605
flat angles C4'-P-C4' energy: -22.076
flat angles P-C4'-P energy: -14.520
tors. eta vs tors. theta energy: -21.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -302.135585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.135585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.135585 (E_RNA)
where:
Base-Base interactions energy: -205.972
where: short stacking energy: -86.485
Base-Backbone interact. energy: -0.099
local terms energy: -96.065355
where:
bonds (distance) C4'-P energy: -19.454
bonds (distance) P-C4' energy: -24.959
flat angles C4'-P-C4' energy: -17.618
flat angles P-C4'-P energy: -13.847
tors. eta vs tors. theta energy: -20.186
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: 4
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -301.495313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.495313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.495313 (E_RNA)
where:
Base-Base interactions energy: -196.163
where: short stacking energy: -86.095
Base-Backbone interact. energy: -1.506
local terms energy: -103.826131
where:
bonds (distance) C4'-P energy: -16.567
bonds (distance) P-C4' energy: -22.173
flat angles C4'-P-C4' energy: -27.645
flat angles P-C4'-P energy: -14.623
tors. eta vs tors. theta energy: -22.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -264.791106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.791106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.791106 (E_RNA)
where:
Base-Base interactions energy: -164.772
where: short stacking energy: -76.503
Base-Backbone interact. energy: -0.054
local terms energy: -99.965039
where:
bonds (distance) C4'-P energy: -19.179
bonds (distance) P-C4' energy: -22.168
flat angles C4'-P-C4' energy: -24.114
flat angles P-C4'-P energy: -13.843
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: 7, replica: 6
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -220.997765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.997765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.997765 (E_RNA)
where:
Base-Base interactions energy: -140.697
where: short stacking energy: -73.366
Base-Backbone interact. energy: -0.642
local terms energy: -79.658943
where:
bonds (distance) C4'-P energy: -21.246
bonds (distance) P-C4' energy: -19.052
flat angles C4'-P-C4' energy: -13.987
flat angles P-C4'-P energy: -13.393
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: 8, replica: 8
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -234.945078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.945078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.945078 (E_RNA)
where:
Base-Base interactions energy: -141.941
where: short stacking energy: -66.117
Base-Backbone interact. energy: -0.046
local terms energy: -92.958266
where:
bonds (distance) C4'-P energy: -18.856
bonds (distance) P-C4' energy: -23.266
flat angles C4'-P-C4' energy: -21.355
flat angles P-C4'-P energy: -15.068
tors. eta vs tors. theta energy: -14.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -201.354417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.354417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.354417 (E_RNA)
where:
Base-Base interactions energy: -127.570
where: short stacking energy: -63.221
Base-Backbone interact. energy: -0.692
local terms energy: -73.091516
where:
bonds (distance) C4'-P energy: -19.638
bonds (distance) P-C4' energy: -16.958
flat angles C4'-P-C4' energy: -15.476
flat angles P-C4'-P energy: -15.956
tors. eta vs tors. theta energy: -5.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -211.692379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.692379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.692379 (E_RNA)
where:
Base-Base interactions energy: -128.945
where: short stacking energy: -47.193
Base-Backbone interact. energy: -0.204
local terms energy: -82.543257
where:
bonds (distance) C4'-P energy: -20.580
bonds (distance) P-C4' energy: -25.199
flat angles C4'-P-C4' energy: -16.617
flat angles P-C4'-P energy: -13.327
tors. eta vs tors. theta energy: -6.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -374.429128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.429128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.429128 (E_RNA)
where:
Base-Base interactions energy: -252.963
where: short stacking energy: -111.199
Base-Backbone interact. energy: -0.075
local terms energy: -121.390851
where:
bonds (distance) C4'-P energy: -22.575
bonds (distance) P-C4' energy: -19.254
flat angles C4'-P-C4' energy: -27.380
flat angles P-C4'-P energy: -18.093
tors. eta vs tors. theta energy: -34.089
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: 10
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -342.117948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.117948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.117948 (E_RNA)
where:
Base-Base interactions energy: -234.611
where: short stacking energy: -89.651
Base-Backbone interact. energy: -0.992
local terms energy: -106.515108
where:
bonds (distance) C4'-P energy: -18.013
bonds (distance) P-C4' energy: -23.586
flat angles C4'-P-C4' energy: -24.647
flat angles P-C4'-P energy: -17.713
tors. eta vs tors. theta energy: -22.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -322.552807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.552807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.552807 (E_RNA)
where:
Base-Base interactions energy: -218.691
where: short stacking energy: -101.113
Base-Backbone interact. energy: -0.255
local terms energy: -103.607091
where:
bonds (distance) C4'-P energy: -21.412
bonds (distance) P-C4' energy: -24.290
flat angles C4'-P-C4' energy: -19.777
flat angles P-C4'-P energy: -12.943
tors. eta vs tors. theta energy: -25.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -288.055922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.055922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.055922 (E_RNA)
where:
Base-Base interactions energy: -195.356
where: short stacking energy: -85.070
Base-Backbone interact. energy: -0.218
local terms energy: -92.482321
where:
bonds (distance) C4'-P energy: -22.639
bonds (distance) P-C4' energy: -23.023
flat angles C4'-P-C4' energy: -20.370
flat angles P-C4'-P energy: -9.305
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: 5, replica: 2
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -264.478402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.478402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.478402 (E_RNA)
where:
Base-Base interactions energy: -164.190
where: short stacking energy: -72.965
Base-Backbone interact. energy: -0.440
local terms energy: -99.848279
where:
bonds (distance) C4'-P energy: -24.182
bonds (distance) P-C4' energy: -22.748
flat angles C4'-P-C4' energy: -21.785
flat angles P-C4'-P energy: -16.690
tors. eta vs tors. theta energy: -14.443
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: 4
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -286.948067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.948067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.948067 (E_RNA)
where:
Base-Base interactions energy: -187.990
where: short stacking energy: -70.826
Base-Backbone interact. energy: 0.650
local terms energy: -99.608131
where:
bonds (distance) C4'-P energy: -18.233
bonds (distance) P-C4' energy: -24.961
flat angles C4'-P-C4' energy: -20.409
flat angles P-C4'-P energy: -17.471
tors. eta vs tors. theta energy: -18.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -244.985028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.985028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.985028 (E_RNA)
where:
Base-Base interactions energy: -162.602
where: short stacking energy: -81.172
Base-Backbone interact. energy: -0.114
local terms energy: -82.269067
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -18.522
flat angles C4'-P-C4' energy: -20.173
flat angles P-C4'-P energy: -10.813
tors. eta vs tors. theta energy: -19.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -203.545173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.545173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.545173 (E_RNA)
where:
Base-Base interactions energy: -122.771
where: short stacking energy: -59.343
Base-Backbone interact. energy: -0.580
local terms energy: -80.194128
where:
bonds (distance) C4'-P energy: -14.933
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -22.999
flat angles P-C4'-P energy: -16.858
tors. eta vs tors. theta energy: -10.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -214.463223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.463223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.463223 (E_RNA)
where:
Base-Base interactions energy: -138.938
where: short stacking energy: -66.978
Base-Backbone interact. energy: 2.035
local terms energy: -77.560683
where:
bonds (distance) C4'-P energy: -10.701
bonds (distance) P-C4' energy: -24.234
flat angles C4'-P-C4' energy: -17.328
flat angles P-C4'-P energy: -14.764
tors. eta vs tors. theta energy: -10.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -210.754596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.754596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.754596 (E_RNA)
where:
Base-Base interactions energy: -126.897
where: short stacking energy: -61.997
Base-Backbone interact. energy: -0.289
local terms energy: -83.567925
where:
bonds (distance) C4'-P energy: -18.555
bonds (distance) P-C4' energy: -19.499
flat angles C4'-P-C4' energy: -19.696
flat angles P-C4'-P energy: -10.550
tors. eta vs tors. theta energy: -15.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -372.321843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.321843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.321843 (E_RNA)
where:
Base-Base interactions energy: -250.332
where: short stacking energy: -106.524
Base-Backbone interact. energy: -0.109
local terms energy: -121.881219
where:
bonds (distance) C4'-P energy: -23.642
bonds (distance) P-C4' energy: -20.299
flat angles C4'-P-C4' energy: -24.893
flat angles P-C4'-P energy: -16.379
tors. eta vs tors. theta energy: -36.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -359.423503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.423503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.423503 (E_RNA)
where:
Base-Base interactions energy: -250.636
where: short stacking energy: -96.059
Base-Backbone interact. energy: 0.649
local terms energy: -109.436355
where:
bonds (distance) C4'-P energy: -18.149
bonds (distance) P-C4' energy: -24.149
flat angles C4'-P-C4' energy: -19.817
flat angles P-C4'-P energy: -16.266
tors. eta vs tors. theta energy: -31.056
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: 7
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -336.567215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.567215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.567215 (E_RNA)
where:
Base-Base interactions energy: -225.851
where: short stacking energy: -97.977
Base-Backbone interact. energy: 0.265
local terms energy: -110.981415
where:
bonds (distance) C4'-P energy: -21.883
bonds (distance) P-C4' energy: -23.039
flat angles C4'-P-C4' energy: -27.589
flat angles P-C4'-P energy: -15.588
tors. eta vs tors. theta energy: -22.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -285.654046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.654046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.654046 (E_RNA)
where:
Base-Base interactions energy: -177.399
where: short stacking energy: -88.246
Base-Backbone interact. energy: -0.466
local terms energy: -107.788526
where:
bonds (distance) C4'-P energy: -22.997
bonds (distance) P-C4' energy: -20.575
flat angles C4'-P-C4' energy: -23.749
flat angles P-C4'-P energy: -14.388
tors. eta vs tors. theta energy: -26.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -280.385673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.385673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.385673 (E_RNA)
where:
Base-Base interactions energy: -173.422
where: short stacking energy: -77.603
Base-Backbone interact. energy: -0.699
local terms energy: -106.264243
where:
bonds (distance) C4'-P energy: -24.043
bonds (distance) P-C4' energy: -21.779
flat angles C4'-P-C4' energy: -22.899
flat angles P-C4'-P energy: -18.658
tors. eta vs tors. theta energy: -18.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -304.194148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.194148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.194148 (E_RNA)
where:
Base-Base interactions energy: -217.874
where: short stacking energy: -82.024
Base-Backbone interact. energy: -1.197
local terms energy: -85.123224
where:
bonds (distance) C4'-P energy: -16.415
bonds (distance) P-C4' energy: -20.928
flat angles C4'-P-C4' energy: -17.544
flat angles P-C4'-P energy: -10.717
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: 7, replica: 6
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -261.315481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.315481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.315481 (E_RNA)
where:
Base-Base interactions energy: -179.080
where: short stacking energy: -65.897
Base-Backbone interact. energy: -0.747
local terms energy: -81.487897
where:
bonds (distance) C4'-P energy: -20.202
bonds (distance) P-C4' energy: -16.340
flat angles C4'-P-C4' energy: -18.250
flat angles P-C4'-P energy: -12.880
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: 8, replica: 8
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -254.950123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.950123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.950123 (E_RNA)
where:
Base-Base interactions energy: -159.715
where: short stacking energy: -69.418
Base-Backbone interact. energy: 2.029
local terms energy: -97.264237
where:
bonds (distance) C4'-P energy: -21.084
bonds (distance) P-C4' energy: -22.473
flat angles C4'-P-C4' energy: -19.021
flat angles P-C4'-P energy: -17.218
tors. eta vs tors. theta energy: -17.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -229.679013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.679013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.679013 (E_RNA)
where:
Base-Base interactions energy: -144.049
where: short stacking energy: -60.420
Base-Backbone interact. energy: -0.520
local terms energy: -85.110117
where:
bonds (distance) C4'-P energy: -20.495
bonds (distance) P-C4' energy: -19.052
flat angles C4'-P-C4' energy: -21.829
flat angles P-C4'-P energy: -14.214
tors. eta vs tors. theta energy: -9.520
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: 10, replica: 1
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -239.291595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.291595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.291595 (E_RNA)
where:
Base-Base interactions energy: -150.022
where: short stacking energy: -60.349
Base-Backbone interact. energy: 0.286
local terms energy: -89.556251
where:
bonds (distance) C4'-P energy: -18.468
bonds (distance) P-C4' energy: -22.732
flat angles C4'-P-C4' energy: -20.003
flat angles P-C4'-P energy: -12.525
tors. eta vs tors. theta energy: -15.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -378.323880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.323880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.323880 (E_RNA)
where:
Base-Base interactions energy: -257.840
where: short stacking energy: -118.544
Base-Backbone interact. energy: -0.054
local terms energy: -120.430028
where:
bonds (distance) C4'-P energy: -21.874
bonds (distance) P-C4' energy: -23.439
flat angles C4'-P-C4' energy: -24.353
flat angles P-C4'-P energy: -16.663
tors. eta vs tors. theta energy: -34.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -340.142370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.142370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.142370 (E_RNA)
where:
Base-Base interactions energy: -232.048
where: short stacking energy: -89.756
Base-Backbone interact. energy: -0.590
local terms energy: -107.503550
where:
bonds (distance) C4'-P energy: -25.720
bonds (distance) P-C4' energy: -22.761
flat angles C4'-P-C4' energy: -19.027
flat angles P-C4'-P energy: -9.927
tors. eta vs tors. theta energy: -30.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -284.381891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.381891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.381891 (E_RNA)
where:
Base-Base interactions energy: -180.366
where: short stacking energy: -84.191
Base-Backbone interact. energy: -0.353
local terms energy: -103.662876
where:
bonds (distance) C4'-P energy: -19.509
bonds (distance) P-C4' energy: -27.475
flat angles C4'-P-C4' energy: -23.751
flat angles P-C4'-P energy: -14.199
tors. eta vs tors. theta energy: -18.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -310.540964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.540964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.540964 (E_RNA)
where:
Base-Base interactions energy: -207.383
where: short stacking energy: -89.645
Base-Backbone interact. energy: -0.590
local terms energy: -102.567216
where:
bonds (distance) C4'-P energy: -22.442
bonds (distance) P-C4' energy: -23.437
flat angles C4'-P-C4' energy: -22.768
flat angles P-C4'-P energy: -9.923
tors. eta vs tors. theta energy: -23.997
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: 5, replica: 4
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -335.319403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.319403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.319403 (E_RNA)
where:
Base-Base interactions energy: -230.282
where: short stacking energy: -94.642
Base-Backbone interact. energy: -0.699
local terms energy: -104.338462
where:
bonds (distance) C4'-P energy: -20.199
bonds (distance) P-C4' energy: -27.058
flat angles C4'-P-C4' energy: -22.716
flat angles P-C4'-P energy: -12.130
tors. eta vs tors. theta energy: -22.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -261.346028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.346028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.346028 (E_RNA)
where:
Base-Base interactions energy: -166.306
where: short stacking energy: -80.187
Base-Backbone interact. energy: -0.067
local terms energy: -94.973631
where:
bonds (distance) C4'-P energy: -16.967
bonds (distance) P-C4' energy: -24.516
flat angles C4'-P-C4' energy: -20.712
flat angles P-C4'-P energy: -12.845
tors. eta vs tors. theta energy: -19.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -254.369617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.369617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.369617 (E_RNA)
where:
Base-Base interactions energy: -168.205
where: short stacking energy: -79.690
Base-Backbone interact. energy: -0.239
local terms energy: -85.925803
where:
bonds (distance) C4'-P energy: -22.031
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -19.934
flat angles P-C4'-P energy: -13.296
tors. eta vs tors. theta energy: -16.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -225.970628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.970628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.970628 (E_RNA)
where:
Base-Base interactions energy: -138.594
where: short stacking energy: -63.541
Base-Backbone interact. energy: -0.243
local terms energy: -87.133206
where:
bonds (distance) C4'-P energy: -18.118
bonds (distance) P-C4' energy: -13.460
flat angles C4'-P-C4' energy: -23.631
flat angles P-C4'-P energy: -15.173
tors. eta vs tors. theta energy: -16.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -226.884288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.884288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.884288 (E_RNA)
where:
Base-Base interactions energy: -133.158
where: short stacking energy: -70.638
Base-Backbone interact. energy: -0.606
local terms energy: -93.120972
where:
bonds (distance) C4'-P energy: -20.427
bonds (distance) P-C4' energy: -22.910
flat angles C4'-P-C4' energy: -21.375
flat angles P-C4'-P energy: -12.119
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: 10, replica: 3
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -246.454014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.454014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.454014 (E_RNA)
where:
Base-Base interactions energy: -147.385
where: short stacking energy: -69.977
Base-Backbone interact. energy: -0.133
local terms energy: -98.936353
where:
bonds (distance) C4'-P energy: -24.159
bonds (distance) P-C4' energy: -20.614
flat angles C4'-P-C4' energy: -23.660
flat angles P-C4'-P energy: -13.206
tors. eta vs tors. theta energy: -17.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -365.957817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.957817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.957817 (E_RNA)
where:
Base-Base interactions energy: -243.733
where: short stacking energy: -108.040
Base-Backbone interact. energy: -0.005
local terms energy: -122.219301
where:
bonds (distance) C4'-P energy: -27.298
bonds (distance) P-C4' energy: -17.519
flat angles C4'-P-C4' energy: -25.809
flat angles P-C4'-P energy: -17.463
tors. eta vs tors. theta energy: -34.130
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: 10
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -349.040454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.040454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.040454 (E_RNA)
where:
Base-Base interactions energy: -230.379
where: short stacking energy: -91.773
Base-Backbone interact. energy: -1.256
local terms energy: -117.405239
where:
bonds (distance) C4'-P energy: -21.126
bonds (distance) P-C4' energy: -25.350
flat angles C4'-P-C4' energy: -17.367
flat angles P-C4'-P energy: -22.253
tors. eta vs tors. theta energy: -31.309
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: 2
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -295.895868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.895868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.895868 (E_RNA)
where:
Base-Base interactions energy: -187.949
where: short stacking energy: -94.493
Base-Backbone interact. energy: -0.027
local terms energy: -107.919256
where:
bonds (distance) C4'-P energy: -17.831
bonds (distance) P-C4' energy: -22.256
flat angles C4'-P-C4' energy: -28.366
flat angles P-C4'-P energy: -15.024
tors. eta vs tors. theta energy: -24.442
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: 4
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -330.492721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.492721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.492721 (E_RNA)
where:
Base-Base interactions energy: -224.493
where: short stacking energy: -103.596
Base-Backbone interact. energy: 0.162
local terms energy: -106.161569
where:
bonds (distance) C4'-P energy: -17.450
bonds (distance) P-C4' energy: -19.772
flat angles C4'-P-C4' energy: -22.917
flat angles P-C4'-P energy: -18.230
tors. eta vs tors. theta energy: -27.792
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: 5, replica: 7
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -302.615700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.615700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.615700 (E_RNA)
where:
Base-Base interactions energy: -204.121
where: short stacking energy: -86.617
Base-Backbone interact. energy: 1.192
local terms energy: -99.687352
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -23.000
flat angles C4'-P-C4' energy: -23.358
flat angles P-C4'-P energy: -16.841
tors. eta vs tors. theta energy: -21.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -258.872381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.872381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.872381 (E_RNA)
where:
Base-Base interactions energy: -175.488
where: short stacking energy: -70.528
Base-Backbone interact. energy: -0.542
local terms energy: -82.841662
where:
bonds (distance) C4'-P energy: -20.727
bonds (distance) P-C4' energy: -23.276
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -8.378
tors. eta vs tors. theta energy: -16.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -231.814744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.814744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.814744 (E_RNA)
where:
Base-Base interactions energy: -146.421
where: short stacking energy: -61.981
Base-Backbone interact. energy: 0.119
local terms energy: -85.511990
where:
bonds (distance) C4'-P energy: -17.077
bonds (distance) P-C4' energy: -23.420
flat angles C4'-P-C4' energy: -22.338
flat angles P-C4'-P energy: -12.377
tors. eta vs tors. theta energy: -10.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -211.386164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.386164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.386164 (E_RNA)
where:
Base-Base interactions energy: -125.488
where: short stacking energy: -71.664
Base-Backbone interact. energy: -0.182
local terms energy: -85.716201
where:
bonds (distance) C4'-P energy: -19.436
bonds (distance) P-C4' energy: -20.076
flat angles C4'-P-C4' energy: -21.304
flat angles P-C4'-P energy: -8.188
tors. eta vs tors. theta energy: -16.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -215.141054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.141054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.141054 (E_RNA)
where:
Base-Base interactions energy: -131.398
where: short stacking energy: -65.575
Base-Backbone interact. energy: -1.164
local terms energy: -82.579422
where:
bonds (distance) C4'-P energy: -22.202
bonds (distance) P-C4' energy: -22.225
flat angles C4'-P-C4' energy: -17.649
flat angles P-C4'-P energy: -4.066
tors. eta vs tors. theta energy: -16.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -223.226503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.226503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.226503 (E_RNA)
where:
Base-Base interactions energy: -145.340
where: short stacking energy: -63.266
Base-Backbone interact. energy: -0.191
local terms energy: -77.696125
where:
bonds (distance) C4'-P energy: -15.077
bonds (distance) P-C4' energy: -15.116
flat angles C4'-P-C4' energy: -21.164
flat angles P-C4'-P energy: -8.645
tors. eta vs tors. theta energy: -17.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -368.213566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.213566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.213566 (E_RNA)
where:
Base-Base interactions energy: -241.667
where: short stacking energy: -111.980
Base-Backbone interact. energy: -0.020
local terms energy: -126.526541
where:
bonds (distance) C4'-P energy: -23.602
bonds (distance) P-C4' energy: -26.741
flat angles C4'-P-C4' energy: -21.958
flat angles P-C4'-P energy: -18.349
tors. eta vs tors. theta energy: -35.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -333.117292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.117292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.117292 (E_RNA)
where:
Base-Base interactions energy: -221.043
where: short stacking energy: -99.827
Base-Backbone interact. energy: -0.574
local terms energy: -111.500675
where:
bonds (distance) C4'-P energy: -24.875
bonds (distance) P-C4' energy: -22.101
flat angles C4'-P-C4' energy: -23.612
flat angles P-C4'-P energy: -11.634
tors. eta vs tors. theta energy: -29.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -326.729301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.729301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.729301 (E_RNA)
where:
Base-Base interactions energy: -219.188
where: short stacking energy: -88.739
Base-Backbone interact. energy: -0.348
local terms energy: -107.193412
where:
bonds (distance) C4'-P energy: -20.273
bonds (distance) P-C4' energy: -20.300
flat angles C4'-P-C4' energy: -25.871
flat angles P-C4'-P energy: -15.931
tors. eta vs tors. theta energy: -24.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -291.519566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.519566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.519566 (E_RNA)
where:
Base-Base interactions energy: -184.949
where: short stacking energy: -89.109
Base-Backbone interact. energy: 0.092
local terms energy: -106.662683
where:
bonds (distance) C4'-P energy: -25.112
bonds (distance) P-C4' energy: -19.455
flat angles C4'-P-C4' energy: -25.631
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -24.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -314.667885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.667885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.667885 (E_RNA)
where:
Base-Base interactions energy: -196.091
where: short stacking energy: -88.466
Base-Backbone interact. energy: -0.315
local terms energy: -118.262139
where:
bonds (distance) C4'-P energy: -25.079
bonds (distance) P-C4' energy: -22.580
flat angles C4'-P-C4' energy: -23.063
flat angles P-C4'-P energy: -17.382
tors. eta vs tors. theta energy: -30.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -270.129425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.129425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.129425 (E_RNA)
where:
Base-Base interactions energy: -171.688
where: short stacking energy: -83.636
Base-Backbone interact. energy: -0.267
local terms energy: -98.174898
where:
bonds (distance) C4'-P energy: -23.270
bonds (distance) P-C4' energy: -20.841
flat angles C4'-P-C4' energy: -18.610
flat angles P-C4'-P energy: -18.387
tors. eta vs tors. theta energy: -17.067
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: 7, replica: 8
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -250.266251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.266251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.266251 (E_RNA)
where:
Base-Base interactions energy: -161.607
where: short stacking energy: -81.784
Base-Backbone interact. energy: -0.175
local terms energy: -88.484752
where:
bonds (distance) C4'-P energy: -18.226
bonds (distance) P-C4' energy: -27.099
flat angles C4'-P-C4' energy: -21.122
flat angles P-C4'-P energy: -3.042
tors. eta vs tors. theta energy: -18.996
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: 6
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -238.781270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.781270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.781270 (E_RNA)
where:
Base-Base interactions energy: -154.875
where: short stacking energy: -67.487
Base-Backbone interact. energy: -0.115
local terms energy: -83.791900
where:
bonds (distance) C4'-P energy: -11.604
bonds (distance) P-C4' energy: -17.321
flat angles C4'-P-C4' energy: -23.502
flat angles P-C4'-P energy: -14.076
tors. eta vs tors. theta energy: -17.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -242.684232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.684232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.684232 (E_RNA)
where:
Base-Base interactions energy: -152.264
where: short stacking energy: -68.303
Base-Backbone interact. energy: -0.205
local terms energy: -90.214932
where:
bonds (distance) C4'-P energy: -19.669
bonds (distance) P-C4' energy: -21.203
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -19.722
tors. eta vs tors. theta energy: -15.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -208.860733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.860733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.860733 (E_RNA)
where:
Base-Base interactions energy: -129.073
where: short stacking energy: -62.945
Base-Backbone interact. energy: 1.364
local terms energy: -81.152042
where:
bonds (distance) C4'-P energy: -17.807
bonds (distance) P-C4' energy: -19.864
flat angles C4'-P-C4' energy: -17.065
flat angles P-C4'-P energy: -13.731
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: 1, replica: 5
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -374.907212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.907212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.907212 (E_RNA)
where:
Base-Base interactions energy: -258.297
where: short stacking energy: -115.453
Base-Backbone interact. energy: -0.535
local terms energy: -116.074822
where:
bonds (distance) C4'-P energy: -19.470
bonds (distance) P-C4' energy: -21.142
flat angles C4'-P-C4' energy: -25.323
flat angles P-C4'-P energy: -17.722
tors. eta vs tors. theta energy: -32.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -344.219360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.219360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.219360 (E_RNA)
where:
Base-Base interactions energy: -231.615
where: short stacking energy: -106.593
Base-Backbone interact. energy: 0.381
local terms energy: -112.985227
where:
bonds (distance) C4'-P energy: -17.129
bonds (distance) P-C4' energy: -25.251
flat angles C4'-P-C4' energy: -26.378
flat angles P-C4'-P energy: -15.911
tors. eta vs tors. theta energy: -28.316
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: 4
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -332.083138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.083138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.083138 (E_RNA)
where:
Base-Base interactions energy: -217.788
where: short stacking energy: -85.828
Base-Backbone interact. energy: -0.369
local terms energy: -113.925467
where:
bonds (distance) C4'-P energy: -22.378
bonds (distance) P-C4' energy: -25.700
flat angles C4'-P-C4' energy: -20.537
flat angles P-C4'-P energy: -16.975
tors. eta vs tors. theta energy: -28.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -308.242355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.242355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.242355 (E_RNA)
where:
Base-Base interactions energy: -207.298
where: short stacking energy: -74.427
Base-Backbone interact. energy: -0.374
local terms energy: -100.570010
where:
bonds (distance) C4'-P energy: -17.329
bonds (distance) P-C4' energy: -24.197
flat angles C4'-P-C4' energy: -24.745
flat angles P-C4'-P energy: -16.140
tors. eta vs tors. theta energy: -18.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -312.902883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.902883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.902883 (E_RNA)
where:
Base-Base interactions energy: -200.865
where: short stacking energy: -88.741
Base-Backbone interact. energy: -0.372
local terms energy: -111.666313
where:
bonds (distance) C4'-P energy: -20.153
bonds (distance) P-C4' energy: -23.742
flat angles C4'-P-C4' energy: -23.554
flat angles P-C4'-P energy: -18.070
tors. eta vs tors. theta energy: -26.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -244.746849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.746849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.746849 (E_RNA)
where:
Base-Base interactions energy: -153.528
where: short stacking energy: -71.119
Base-Backbone interact. energy: -0.151
local terms energy: -91.067784
where:
bonds (distance) C4'-P energy: -23.137
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -19.205
flat angles P-C4'-P energy: -15.459
tors. eta vs tors. theta energy: -15.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -214.467285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.467285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.467285 (E_RNA)
where:
Base-Base interactions energy: -134.790
where: short stacking energy: -58.526
Base-Backbone interact. energy: 0.820
local terms energy: -80.497825
where:
bonds (distance) C4'-P energy: -18.208
bonds (distance) P-C4' energy: -21.716
flat angles C4'-P-C4' energy: -21.270
flat angles P-C4'-P energy: -13.050
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: 8, replica: 3
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -253.207943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.207943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.207943 (E_RNA)
where:
Base-Base interactions energy: -161.646
where: short stacking energy: -71.434
Base-Backbone interact. energy: -0.505
local terms energy: -91.057072
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -19.480
flat angles C4'-P-C4' energy: -18.551
flat angles P-C4'-P energy: -17.348
tors. eta vs tors. theta energy: -19.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -232.963244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.963244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.963244 (E_RNA)
where:
Base-Base interactions energy: -143.552
where: short stacking energy: -54.537
Base-Backbone interact. energy: -0.107
local terms energy: -89.304801
where:
bonds (distance) C4'-P energy: -22.347
bonds (distance) P-C4' energy: -15.889
flat angles C4'-P-C4' energy: -21.692
flat angles P-C4'-P energy: -14.504
tors. eta vs tors. theta energy: -14.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -185.260890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.260890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.260890 (E_RNA)
where:
Base-Base interactions energy: -104.693
where: short stacking energy: -51.593
Base-Backbone interact. energy: -0.156
local terms energy: -80.411893
where:
bonds (distance) C4'-P energy: -22.049
bonds (distance) P-C4' energy: -23.680
flat angles C4'-P-C4' energy: -19.835
flat angles P-C4'-P energy: -8.687
tors. eta vs tors. theta energy: -6.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -375.845904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.845904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.845904 (E_RNA)
where:
Base-Base interactions energy: -260.430
where: short stacking energy: -107.687
Base-Backbone interact. energy: -0.725
local terms energy: -114.690920
where:
bonds (distance) C4'-P energy: -15.019
bonds (distance) P-C4' energy: -21.725
flat angles C4'-P-C4' energy: -25.280
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -34.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -345.445304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.445304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.445304 (E_RNA)
where:
Base-Base interactions energy: -236.030
where: short stacking energy: -105.172
Base-Backbone interact. energy: -0.030
local terms energy: -109.385236
where:
bonds (distance) C4'-P energy: -21.908
bonds (distance) P-C4' energy: -20.147
flat angles C4'-P-C4' energy: -21.987
flat angles P-C4'-P energy: -15.160
tors. eta vs tors. theta energy: -30.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -321.369195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.369195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.369195 (E_RNA)
where:
Base-Base interactions energy: -219.322
where: short stacking energy: -90.330
Base-Backbone interact. energy: 0.199
local terms energy: -102.246318
where:
bonds (distance) C4'-P energy: -16.557
bonds (distance) P-C4' energy: -24.535
flat angles C4'-P-C4' energy: -16.558
flat angles P-C4'-P energy: -18.222
tors. eta vs tors. theta energy: -26.374
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: 168
Temperature: 1.050000
Total energy: -289.790449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.790449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.790449 (E_RNA)
where:
Base-Base interactions energy: -196.793
where: short stacking energy: -78.758
Base-Backbone interact. energy: 2.704
local terms energy: -95.701715
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -18.520
flat angles C4'-P-C4' energy: -21.332
flat angles P-C4'-P energy: -15.936
tors. eta vs tors. theta energy: -23.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -264.924152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.924152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.924152 (E_RNA)
where:
Base-Base interactions energy: -172.077
where: short stacking energy: -81.033
Base-Backbone interact. energy: -0.091
local terms energy: -92.756044
where:
bonds (distance) C4'-P energy: -20.227
bonds (distance) P-C4' energy: -23.525
flat angles C4'-P-C4' energy: -13.696
flat angles P-C4'-P energy: -16.552
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: 6, replica: 2
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -298.430407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.430407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.430407 (E_RNA)
where:
Base-Base interactions energy: -200.782
where: short stacking energy: -88.628
Base-Backbone interact. energy: -0.639
local terms energy: -97.009667
where:
bonds (distance) C4'-P energy: -19.245
bonds (distance) P-C4' energy: -20.214
flat angles C4'-P-C4' energy: -21.814
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -23.971
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: 168
Temperature: 1.200000
Total energy: -241.680573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.680573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.680573 (E_RNA)
where:
Base-Base interactions energy: -158.747
where: short stacking energy: -67.595
Base-Backbone interact. energy: -0.346
local terms energy: -82.587931
where:
bonds (distance) C4'-P energy: -17.963
bonds (distance) P-C4' energy: -17.627
flat angles C4'-P-C4' energy: -20.268
flat angles P-C4'-P energy: -12.881
tors. eta vs tors. theta energy: -13.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -207.489758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.489758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.489758 (E_RNA)
where:
Base-Base interactions energy: -132.959
where: short stacking energy: -63.833
Base-Backbone interact. energy: 1.388
local terms energy: -75.918398
where:
bonds (distance) C4'-P energy: -8.991
bonds (distance) P-C4' energy: -22.830
flat angles C4'-P-C4' energy: -21.057
flat angles P-C4'-P energy: -12.597
tors. eta vs tors. theta energy: -10.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -234.801763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.801763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.801763 (E_RNA)
where:
Base-Base interactions energy: -137.974
where: short stacking energy: -67.492
Base-Backbone interact. energy: -0.300
local terms energy: -96.528233
where:
bonds (distance) C4'-P energy: -18.716
bonds (distance) P-C4' energy: -23.274
flat angles C4'-P-C4' energy: -20.731
flat angles P-C4'-P energy: -15.276
tors. eta vs tors. theta energy: -18.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -187.528543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.528543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.528543 (E_RNA)
where:
Base-Base interactions energy: -116.700
where: short stacking energy: -57.455
Base-Backbone interact. energy: -0.270
local terms energy: -70.558552
where:
bonds (distance) C4'-P energy: -16.479
bonds (distance) P-C4' energy: -19.586
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -11.653
tors. eta vs tors. theta energy: -8.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -369.396702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.396702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.396702 (E_RNA)
where:
Base-Base interactions energy: -249.757
where: short stacking energy: -102.767
Base-Backbone interact. energy: -0.014
local terms energy: -119.626332
where:
bonds (distance) C4'-P energy: -19.548
bonds (distance) P-C4' energy: -25.569
flat angles C4'-P-C4' energy: -24.921
flat angles P-C4'-P energy: -17.349
tors. eta vs tors. theta energy: -32.238
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: 10
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -354.499125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.499125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.499125 (E_RNA)
where:
Base-Base interactions energy: -235.726
where: short stacking energy: -101.131
Base-Backbone interact. energy: -0.303
local terms energy: -118.470576
where:
bonds (distance) C4'-P energy: -21.979
bonds (distance) P-C4' energy: -19.892
flat angles C4'-P-C4' energy: -27.508
flat angles P-C4'-P energy: -19.072
tors. eta vs tors. theta energy: -30.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -324.221852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.221852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.221852 (E_RNA)
where:
Base-Base interactions energy: -217.818
where: short stacking energy: -99.189
Base-Backbone interact. energy: -0.282
local terms energy: -106.121797
where:
bonds (distance) C4'-P energy: -20.832
bonds (distance) P-C4' energy: -18.556
flat angles C4'-P-C4' energy: -22.873
flat angles P-C4'-P energy: -17.844
tors. eta vs tors. theta energy: -26.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -292.477331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.477331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.477331 (E_RNA)
where:
Base-Base interactions energy: -185.697
where: short stacking energy: -86.620
Base-Backbone interact. energy: -0.267
local terms energy: -106.513033
where:
bonds (distance) C4'-P energy: -20.688
bonds (distance) P-C4' energy: -24.417
flat angles C4'-P-C4' energy: -24.676
flat angles P-C4'-P energy: -14.116
tors. eta vs tors. theta energy: -22.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -287.748044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.748044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.748044 (E_RNA)
where:
Base-Base interactions energy: -190.605
where: short stacking energy: -88.180
Base-Backbone interact. energy: 0.555
local terms energy: -97.698087
where:
bonds (distance) C4'-P energy: -17.614
bonds (distance) P-C4' energy: -21.937
flat angles C4'-P-C4' energy: -19.912
flat angles P-C4'-P energy: -15.128
tors. eta vs tors. theta energy: -23.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -283.648945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.648945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.648945 (E_RNA)
where:
Base-Base interactions energy: -179.523
where: short stacking energy: -85.834
Base-Backbone interact. energy: -0.151
local terms energy: -103.974365
where:
bonds (distance) C4'-P energy: -21.092
bonds (distance) P-C4' energy: -22.807
flat angles C4'-P-C4' energy: -24.270
flat angles P-C4'-P energy: -15.670
tors. eta vs tors. theta energy: -20.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -248.498420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.498420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.498420 (E_RNA)
where:
Base-Base interactions energy: -156.578
where: short stacking energy: -72.743
Base-Backbone interact. energy: -0.143
local terms energy: -91.777634
where:
bonds (distance) C4'-P energy: -24.515
bonds (distance) P-C4' energy: -17.056
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -17.918
tors. eta vs tors. theta energy: -16.336
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: 6
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -206.328927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.328927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.328927 (E_RNA)
where:
Base-Base interactions energy: -125.062
where: short stacking energy: -66.389
Base-Backbone interact. energy: -0.581
local terms energy: -80.685932
where:
bonds (distance) C4'-P energy: -16.911
bonds (distance) P-C4' energy: -21.475
flat angles C4'-P-C4' energy: -22.026
flat angles P-C4'-P energy: -15.719
tors. eta vs tors. theta energy: -4.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -207.166104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.166104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.166104 (E_RNA)
where:
Base-Base interactions energy: -132.386
where: short stacking energy: -69.104
Base-Backbone interact. energy: 0.807
local terms energy: -75.586821
where:
bonds (distance) C4'-P energy: -18.905
bonds (distance) P-C4' energy: -16.143
flat angles C4'-P-C4' energy: -20.799
flat angles P-C4'-P energy: -7.199
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: 10, replica: 1
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -185.854726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.854726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.854726 (E_RNA)
where:
Base-Base interactions energy: -108.849
where: short stacking energy: -49.820
Base-Backbone interact. energy: 0.142
local terms energy: -77.148631
where:
bonds (distance) C4'-P energy: -17.818
bonds (distance) P-C4' energy: -21.291
flat angles C4'-P-C4' energy: -16.316
flat angles P-C4'-P energy: -13.834
tors. eta vs tors. theta energy: -7.890
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: 5
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -370.193135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.193135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.193135 (E_RNA)
where:
Base-Base interactions energy: -255.605
where: short stacking energy: -105.682
Base-Backbone interact. energy: -0.003
local terms energy: -114.584601
where:
bonds (distance) C4'-P energy: -18.561
bonds (distance) P-C4' energy: -23.660
flat angles C4'-P-C4' energy: -23.486
flat angles P-C4'-P energy: -15.113
tors. eta vs tors. theta energy: -33.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -351.651430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.651430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.651430 (E_RNA)
where:
Base-Base interactions energy: -236.583
where: short stacking energy: -91.200
Base-Backbone interact. energy: 0.328
local terms energy: -115.396707
where:
bonds (distance) C4'-P energy: -25.572
bonds (distance) P-C4' energy: -19.550
flat angles C4'-P-C4' energy: -22.365
flat angles P-C4'-P energy: -19.384
tors. eta vs tors. theta energy: -28.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -334.877953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.877953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.877953 (E_RNA)
where:
Base-Base interactions energy: -226.305
where: short stacking energy: -97.130
Base-Backbone interact. energy: -0.034
local terms energy: -108.539385
where:
bonds (distance) C4'-P energy: -22.746
bonds (distance) P-C4' energy: -19.257
flat angles C4'-P-C4' energy: -24.163
flat angles P-C4'-P energy: -15.376
tors. eta vs tors. theta energy: -26.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -287.505689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.505689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.505689 (E_RNA)
where:
Base-Base interactions energy: -187.995
where: short stacking energy: -101.613
Base-Backbone interact. energy: -0.042
local terms energy: -99.468612
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -27.543
flat angles P-C4'-P energy: -15.846
tors. eta vs tors. theta energy: -27.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -292.923872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.923872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.923872 (E_RNA)
where:
Base-Base interactions energy: -190.057
where: short stacking energy: -83.267
Base-Backbone interact. energy: 0.288
local terms energy: -103.155361
where:
bonds (distance) C4'-P energy: -23.733
bonds (distance) P-C4' energy: -22.278
flat angles C4'-P-C4' energy: -21.109
flat angles P-C4'-P energy: -17.763
tors. eta vs tors. theta energy: -18.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -283.949037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.949037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.949037 (E_RNA)
where:
Base-Base interactions energy: -180.947
where: short stacking energy: -91.266
Base-Backbone interact. energy: -0.033
local terms energy: -102.968811
where:
bonds (distance) C4'-P energy: -24.600
bonds (distance) P-C4' energy: -21.447
flat angles C4'-P-C4' energy: -17.501
flat angles P-C4'-P energy: -14.248
tors. eta vs tors. theta energy: -25.173
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: 3
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -259.768578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.768578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.768578 (E_RNA)
where:
Base-Base interactions energy: -169.126
where: short stacking energy: -71.232
Base-Backbone interact. energy: -0.165
local terms energy: -90.477938
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -23.346
flat angles C4'-P-C4' energy: -19.401
flat angles P-C4'-P energy: -14.078
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: 8, replica: 6
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -221.238086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.238086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.238086 (E_RNA)
where:
Base-Base interactions energy: -137.546
where: short stacking energy: -61.808
Base-Backbone interact. energy: 0.073
local terms energy: -83.765270
where:
bonds (distance) C4'-P energy: -19.026
bonds (distance) P-C4' energy: -18.130
flat angles C4'-P-C4' energy: -23.172
flat angles P-C4'-P energy: -11.508
tors. eta vs tors. theta energy: -11.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -210.347505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.347505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.347505 (E_RNA)
where:
Base-Base interactions energy: -120.145
where: short stacking energy: -58.166
Base-Backbone interact. energy: -0.467
local terms energy: -89.735914
where:
bonds (distance) C4'-P energy: -19.996
bonds (distance) P-C4' energy: -19.620
flat angles C4'-P-C4' energy: -20.728
flat angles P-C4'-P energy: -15.997
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: 10, replica: 9
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -198.069213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.069213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.069213 (E_RNA)
where:
Base-Base interactions energy: -114.869
where: short stacking energy: -58.750
Base-Backbone interact. energy: -0.474
local terms energy: -82.726119
where:
bonds (distance) C4'-P energy: -23.291
bonds (distance) P-C4' energy: -17.791
flat angles C4'-P-C4' energy: -17.664
flat angles P-C4'-P energy: -14.723
tors. eta vs tors. theta energy: -9.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -362.155485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.155485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.155485 (E_RNA)
where:
Base-Base interactions energy: -244.342
where: short stacking energy: -99.549
Base-Backbone interact. energy: -0.062
local terms energy: -117.751336
where:
bonds (distance) C4'-P energy: -18.637
bonds (distance) P-C4' energy: -24.341
flat angles C4'-P-C4' energy: -25.013
flat angles P-C4'-P energy: -16.720
tors. eta vs tors. theta energy: -33.041
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: 10
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -366.460752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.460752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.460752 (E_RNA)
where:
Base-Base interactions energy: -249.802
where: short stacking energy: -89.077
Base-Backbone interact. energy: -1.886
local terms energy: -114.772759
where:
bonds (distance) C4'-P energy: -21.417
bonds (distance) P-C4' energy: -26.756
flat angles C4'-P-C4' energy: -25.091
flat angles P-C4'-P energy: -17.208
tors. eta vs tors. theta energy: -24.302
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: 4
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -335.659033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.659033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.659033 (E_RNA)
where:
Base-Base interactions energy: -228.071
where: short stacking energy: -96.332
Base-Backbone interact. energy: -0.124
local terms energy: -107.463933
where:
bonds (distance) C4'-P energy: -23.643
bonds (distance) P-C4' energy: -23.053
flat angles C4'-P-C4' energy: -20.036
flat angles P-C4'-P energy: -15.937
tors. eta vs tors. theta energy: -24.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -291.193098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.193098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.193098 (E_RNA)
where:
Base-Base interactions energy: -184.804
where: short stacking energy: -88.989
Base-Backbone interact. energy: -0.050
local terms energy: -106.340021
where:
bonds (distance) C4'-P energy: -21.518
bonds (distance) P-C4' energy: -22.573
flat angles C4'-P-C4' energy: -23.412
flat angles P-C4'-P energy: -16.310
tors. eta vs tors. theta energy: -22.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -292.843540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.843540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.843540 (E_RNA)
where:
Base-Base interactions energy: -185.415
where: short stacking energy: -88.862
Base-Backbone interact. energy: -0.606
local terms energy: -106.822401
where:
bonds (distance) C4'-P energy: -19.742
bonds (distance) P-C4' energy: -26.511
flat angles C4'-P-C4' energy: -20.231
flat angles P-C4'-P energy: -16.556
tors. eta vs tors. theta energy: -23.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -266.753814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.753814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.753814 (E_RNA)
where:
Base-Base interactions energy: -170.390
where: short stacking energy: -76.719
Base-Backbone interact. energy: 1.347
local terms energy: -97.711438
where:
bonds (distance) C4'-P energy: -22.124
bonds (distance) P-C4' energy: -20.325
flat angles C4'-P-C4' energy: -22.951
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -23.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -273.228195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.228195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.228195 (E_RNA)
where:
Base-Base interactions energy: -172.509
where: short stacking energy: -84.884
Base-Backbone interact. energy: -0.051
local terms energy: -100.668035
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -24.017
flat angles C4'-P-C4' energy: -23.493
flat angles P-C4'-P energy: -12.619
tors. eta vs tors. theta energy: -23.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -211.914109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.914109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.914109 (E_RNA)
where:
Base-Base interactions energy: -136.911
where: short stacking energy: -62.924
Base-Backbone interact. energy: -1.477
local terms energy: -73.526269
where:
bonds (distance) C4'-P energy: -19.494
bonds (distance) P-C4' energy: -19.639
flat angles C4'-P-C4' energy: -7.328
flat angles P-C4'-P energy: -15.792
tors. eta vs tors. theta energy: -11.273
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: 171
Temperature: 1.300000
Total energy: -219.619201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.619201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.619201 (E_RNA)
where:
Base-Base interactions energy: -137.754
where: short stacking energy: -55.765
Base-Backbone interact. energy: -0.053
local terms energy: -81.812548
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -23.329
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -13.054
tors. eta vs tors. theta energy: -15.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -169.626605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.626605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.626605 (E_RNA)
where:
Base-Base interactions energy: -104.127
where: short stacking energy: -38.294
Base-Backbone interact. energy: -1.430
local terms energy: -64.070427
where:
bonds (distance) C4'-P energy: -17.473
bonds (distance) P-C4' energy: -19.087
flat angles C4'-P-C4' energy: -19.609
flat angles P-C4'-P energy: -7.052
tors. eta vs tors. theta energy: -0.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -367.163727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.163727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.163727 (E_RNA)
where:
Base-Base interactions energy: -246.588
where: short stacking energy: -106.714
Base-Backbone interact. energy: -0.099
local terms energy: -120.476383
where:
bonds (distance) C4'-P energy: -20.282
bonds (distance) P-C4' energy: -22.872
flat angles C4'-P-C4' energy: -26.230
flat angles P-C4'-P energy: -19.397
tors. eta vs tors. theta energy: -31.696
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: 10
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -350.989740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.989740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.989740 (E_RNA)
where:
Base-Base interactions energy: -236.389
where: short stacking energy: -94.824
Base-Backbone interact. energy: -1.983
local terms energy: -112.617635
where:
bonds (distance) C4'-P energy: -25.479
bonds (distance) P-C4' energy: -21.919
flat angles C4'-P-C4' energy: -19.724
flat angles P-C4'-P energy: -16.139
tors. eta vs tors. theta energy: -29.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -340.605216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.605216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.605216 (E_RNA)
where:
Base-Base interactions energy: -235.461
where: short stacking energy: -107.252
Base-Backbone interact. energy: -0.248
local terms energy: -104.896225
where:
bonds (distance) C4'-P energy: -21.696
bonds (distance) P-C4' energy: -19.294
flat angles C4'-P-C4' energy: -19.329
flat angles P-C4'-P energy: -16.003
tors. eta vs tors. theta energy: -28.575
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: 7
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -291.089954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.089954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.089954 (E_RNA)
where:
Base-Base interactions energy: -185.857
where: short stacking energy: -83.667
Base-Backbone interact. energy: -0.742
local terms energy: -104.490141
where:
bonds (distance) C4'-P energy: -21.757
bonds (distance) P-C4' energy: -22.943
flat angles C4'-P-C4' energy: -22.494
flat angles P-C4'-P energy: -14.722
tors. eta vs tors. theta energy: -22.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -275.340301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.340301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.340301 (E_RNA)
where:
Base-Base interactions energy: -193.141
where: short stacking energy: -82.574
Base-Backbone interact. energy: 1.098
local terms energy: -83.297781
where:
bonds (distance) C4'-P energy: -20.149
bonds (distance) P-C4' energy: -14.970
flat angles C4'-P-C4' energy: -23.388
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: -15.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -258.862228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.862228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.862228 (E_RNA)
where:
Base-Base interactions energy: -158.310
where: short stacking energy: -73.791
Base-Backbone interact. energy: -0.467
local terms energy: -100.084649
where:
bonds (distance) C4'-P energy: -22.815
bonds (distance) P-C4' energy: -23.208
flat angles C4'-P-C4' energy: -24.083
flat angles P-C4'-P energy: -13.909
tors. eta vs tors. theta energy: -16.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -257.113554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.113554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.113554 (E_RNA)
where:
Base-Base interactions energy: -161.748
where: short stacking energy: -80.753
Base-Backbone interact. energy: -0.268
local terms energy: -95.097425
where:
bonds (distance) C4'-P energy: -19.816
bonds (distance) P-C4' energy: -23.536
flat angles C4'-P-C4' energy: -22.874
flat angles P-C4'-P energy: -11.252
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: 8, replica: 6
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -202.603242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.603242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.603242 (E_RNA)
where:
Base-Base interactions energy: -121.448
where: short stacking energy: -56.138
Base-Backbone interact. energy: -0.220
local terms energy: -80.935913
where:
bonds (distance) C4'-P energy: -17.776
bonds (distance) P-C4' energy: -22.120
flat angles C4'-P-C4' energy: -18.558
flat angles P-C4'-P energy: -14.826
tors. eta vs tors. theta energy: -7.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -267.697474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.697474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.697474 (E_RNA)
where:
Base-Base interactions energy: -181.714
where: short stacking energy: -76.190
Base-Backbone interact. energy: 0.321
local terms energy: -86.304634
where:
bonds (distance) C4'-P energy: -20.146
bonds (distance) P-C4' energy: -22.213
flat angles C4'-P-C4' energy: -20.808
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: -12.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -188.262171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.262171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.262171 (E_RNA)
where:
Base-Base interactions energy: -129.229
where: short stacking energy: -49.956
Base-Backbone interact. energy: -0.532
local terms energy: -58.501698
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -5.023
flat angles P-C4'-P energy: -17.984
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: 1, replica: 5
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -370.431375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.431375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.431375 (E_RNA)
where:
Base-Base interactions energy: -254.122
where: short stacking energy: -109.016
Base-Backbone interact. energy: -0.186
local terms energy: -116.123219
where:
bonds (distance) C4'-P energy: -20.303
bonds (distance) P-C4' energy: -19.382
flat angles C4'-P-C4' energy: -24.849
flat angles P-C4'-P energy: -18.173
tors. eta vs tors. theta energy: -33.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -340.137036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.137036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.137036 (E_RNA)
where:
Base-Base interactions energy: -231.513
where: short stacking energy: -104.381
Base-Backbone interact. energy: -0.816
local terms energy: -107.808442
where:
bonds (distance) C4'-P energy: -21.750
bonds (distance) P-C4' energy: -20.270
flat angles C4'-P-C4' energy: -19.346
flat angles P-C4'-P energy: -16.184
tors. eta vs tors. theta energy: -30.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -330.224651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.224651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.224651 (E_RNA)
where:
Base-Base interactions energy: -208.510
where: short stacking energy: -103.414
Base-Backbone interact. energy: -0.217
local terms energy: -121.498446
where:
bonds (distance) C4'-P energy: -23.759
bonds (distance) P-C4' energy: -25.473
flat angles C4'-P-C4' energy: -22.992
flat angles P-C4'-P energy: -17.540
tors. eta vs tors. theta energy: -31.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -294.046576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.046576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.046576 (E_RNA)
where:
Base-Base interactions energy: -187.520
where: short stacking energy: -90.093
Base-Backbone interact. energy: -0.741
local terms energy: -105.785968
where:
bonds (distance) C4'-P energy: -17.199
bonds (distance) P-C4' energy: -24.686
flat angles C4'-P-C4' energy: -25.541
flat angles P-C4'-P energy: -14.312
tors. eta vs tors. theta energy: -24.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -264.406127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.406127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.406127 (E_RNA)
where:
Base-Base interactions energy: -177.070
where: short stacking energy: -76.569
Base-Backbone interact. energy: -0.195
local terms energy: -87.140537
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -22.316
flat angles C4'-P-C4' energy: -24.989
flat angles P-C4'-P energy: -10.937
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: 6, replica: 8
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -250.776922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.776922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.776922 (E_RNA)
where:
Base-Base interactions energy: -162.261
where: short stacking energy: -68.702
Base-Backbone interact. energy: -0.116
local terms energy: -88.399379
where:
bonds (distance) C4'-P energy: -19.556
bonds (distance) P-C4' energy: -27.270
flat angles C4'-P-C4' energy: -14.888
flat angles P-C4'-P energy: -9.932
tors. eta vs tors. theta energy: -16.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -252.737997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.737997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.737997 (E_RNA)
where:
Base-Base interactions energy: -165.846
where: short stacking energy: -73.232
Base-Backbone interact. energy: -0.321
local terms energy: -86.570802
where:
bonds (distance) C4'-P energy: -18.943
bonds (distance) P-C4' energy: -22.422
flat angles C4'-P-C4' energy: -17.868
flat angles P-C4'-P energy: -12.265
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: 8, replica: 1
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -238.613041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.613041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.613041 (E_RNA)
where:
Base-Base interactions energy: -153.844
where: short stacking energy: -61.104
Base-Backbone interact. energy: -0.254
local terms energy: -84.515032
where:
bonds (distance) C4'-P energy: -16.861
bonds (distance) P-C4' energy: -21.746
flat angles C4'-P-C4' energy: -19.032
flat angles P-C4'-P energy: -13.403
tors. eta vs tors. theta energy: -13.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -204.984693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.984693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.984693 (E_RNA)
where:
Base-Base interactions energy: -131.556
where: short stacking energy: -61.804
Base-Backbone interact. energy: -0.152
local terms energy: -73.276307
where:
bonds (distance) C4'-P energy: -22.653
bonds (distance) P-C4' energy: -19.512
flat angles C4'-P-C4' energy: -16.280
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -5.911
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: 9
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -156.504868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.504868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.504868 (E_RNA)
where:
Base-Base interactions energy: -89.081
where: short stacking energy: -47.518
Base-Backbone interact. energy: -0.443
local terms energy: -66.980260
where:
bonds (distance) C4'-P energy: -16.223
bonds (distance) P-C4' energy: -19.093
flat angles C4'-P-C4' energy: -16.099
flat angles P-C4'-P energy: -8.718
tors. eta vs tors. theta energy: -6.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -368.848145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.848145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.848145 (E_RNA)
where:
Base-Base interactions energy: -252.328
where: short stacking energy: -103.692
Base-Backbone interact. energy: -0.155
local terms energy: -116.365112
where:
bonds (distance) C4'-P energy: -21.269
bonds (distance) P-C4' energy: -24.796
flat angles C4'-P-C4' energy: -25.128
flat angles P-C4'-P energy: -12.484
tors. eta vs tors. theta energy: -32.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -345.094740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.094740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.094740 (E_RNA)
where:
Base-Base interactions energy: -233.904
where: short stacking energy: -96.194
Base-Backbone interact. energy: -0.682
local terms energy: -110.508833
where:
bonds (distance) C4'-P energy: -21.787
bonds (distance) P-C4' energy: -25.539
flat angles C4'-P-C4' energy: -22.578
flat angles P-C4'-P energy: -12.801
tors. eta vs tors. theta energy: -27.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -290.339441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.339441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.339441 (E_RNA)
where:
Base-Base interactions energy: -189.540
where: short stacking energy: -91.583
Base-Backbone interact. energy: -0.010
local terms energy: -100.789339
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -20.238
flat angles C4'-P-C4' energy: -21.817
flat angles P-C4'-P energy: -15.723
tors. eta vs tors. theta energy: -27.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -321.202332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.202332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.202332 (E_RNA)
where:
Base-Base interactions energy: -214.541
where: short stacking energy: -91.433
Base-Backbone interact. energy: -0.989
local terms energy: -105.672534
where:
bonds (distance) C4'-P energy: -20.140
bonds (distance) P-C4' energy: -24.314
flat angles C4'-P-C4' energy: -22.202
flat angles P-C4'-P energy: -13.148
tors. eta vs tors. theta energy: -25.868
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: 8
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -256.236384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.236384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.236384 (E_RNA)
where:
Base-Base interactions energy: -161.262
where: short stacking energy: -75.599
Base-Backbone interact. energy: -0.171
local terms energy: -94.803819
where:
bonds (distance) C4'-P energy: -17.014
bonds (distance) P-C4' energy: -24.139
flat angles C4'-P-C4' energy: -19.222
flat angles P-C4'-P energy: -18.278
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: 6, replica: 2
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -229.762690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.762690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.762690 (E_RNA)
where:
Base-Base interactions energy: -136.534
where: short stacking energy: -73.951
Base-Backbone interact. energy: -0.073
local terms energy: -93.155225
where:
bonds (distance) C4'-P energy: -21.697
bonds (distance) P-C4' energy: -17.823
flat angles C4'-P-C4' energy: -22.156
flat angles P-C4'-P energy: -17.985
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: 7, replica: 3
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -248.501060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.501060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.501060 (E_RNA)
where:
Base-Base interactions energy: -155.389
where: short stacking energy: -62.489
Base-Backbone interact. energy: -0.613
local terms energy: -92.499734
where:
bonds (distance) C4'-P energy: -24.148
bonds (distance) P-C4' energy: -19.319
flat angles C4'-P-C4' energy: -21.714
flat angles P-C4'-P energy: -8.480
tors. eta vs tors. theta energy: -18.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -208.927982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.927982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.927982 (E_RNA)
where:
Base-Base interactions energy: -127.610
where: short stacking energy: -43.386
Base-Backbone interact. energy: 0.057
local terms energy: -81.374121
where:
bonds (distance) C4'-P energy: -17.570
bonds (distance) P-C4' energy: -22.249
flat angles C4'-P-C4' energy: -19.564
flat angles P-C4'-P energy: -13.761
tors. eta vs tors. theta energy: -8.231
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: 6
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -216.081435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.081435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.081435 (E_RNA)
where:
Base-Base interactions energy: -134.500
where: short stacking energy: -65.330
Base-Backbone interact. energy: -0.116
local terms energy: -81.465314
where:
bonds (distance) C4'-P energy: -13.608
bonds (distance) P-C4' energy: -20.182
flat angles C4'-P-C4' energy: -21.200
flat angles P-C4'-P energy: -12.768
tors. eta vs tors. theta energy: -13.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -115.792082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.792082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.792082 (E_RNA)
where:
Base-Base interactions energy: -41.013
where: short stacking energy: -40.576
Base-Backbone interact. energy: -0.312
local terms energy: -74.467375
where:
bonds (distance) C4'-P energy: -23.219
bonds (distance) P-C4' energy: -24.336
flat angles C4'-P-C4' energy: -19.540
flat angles P-C4'-P energy: -4.046
tors. eta vs tors. theta energy: -3.327
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: 5
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -370.128811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.128811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.128811 (E_RNA)
where:
Base-Base interactions energy: -252.608
where: short stacking energy: -110.623
Base-Backbone interact. energy: -0.155
local terms energy: -117.365123
where:
bonds (distance) C4'-P energy: -22.740
bonds (distance) P-C4' energy: -22.335
flat angles C4'-P-C4' energy: -26.538
flat angles P-C4'-P energy: -15.263
tors. eta vs tors. theta energy: -30.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -354.881617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.881617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.881617 (E_RNA)
where:
Base-Base interactions energy: -241.705
where: short stacking energy: -104.056
Base-Backbone interact. energy: -1.758
local terms energy: -111.417976
where:
bonds (distance) C4'-P energy: -25.770
bonds (distance) P-C4' energy: -17.096
flat angles C4'-P-C4' energy: -22.832
flat angles P-C4'-P energy: -15.791
tors. eta vs tors. theta energy: -29.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -311.682038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.682038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.682038 (E_RNA)
where:
Base-Base interactions energy: -198.197
where: short stacking energy: -98.568
Base-Backbone interact. energy: -0.223
local terms energy: -113.261565
where:
bonds (distance) C4'-P energy: -21.511
bonds (distance) P-C4' energy: -20.882
flat angles C4'-P-C4' energy: -21.625
flat angles P-C4'-P energy: -19.401
tors. eta vs tors. theta energy: -29.844
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: 10
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -325.849256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.849256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.849256 (E_RNA)
where:
Base-Base interactions energy: -222.589
where: short stacking energy: -97.840
Base-Backbone interact. energy: -1.768
local terms energy: -101.492047
where:
bonds (distance) C4'-P energy: -18.401
bonds (distance) P-C4' energy: -20.211
flat angles C4'-P-C4' energy: -25.007
flat angles P-C4'-P energy: -17.137
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: 5, replica: 8
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -254.623012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.623012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.623012 (E_RNA)
where:
Base-Base interactions energy: -156.899
where: short stacking energy: -78.651
Base-Backbone interact. energy: -0.060
local terms energy: -97.664474
where:
bonds (distance) C4'-P energy: -21.377
bonds (distance) P-C4' energy: -22.001
flat angles C4'-P-C4' energy: -20.699
flat angles P-C4'-P energy: -13.348
tors. eta vs tors. theta energy: -20.239
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: 3
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -279.332493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.332493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.332493 (E_RNA)
where:
Base-Base interactions energy: -185.481
where: short stacking energy: -82.642
Base-Backbone interact. energy: -0.523
local terms energy: -93.328538
where:
bonds (distance) C4'-P energy: -20.621
bonds (distance) P-C4' energy: -19.937
flat angles C4'-P-C4' energy: -24.716
flat angles P-C4'-P energy: -14.282
tors. eta vs tors. theta energy: -13.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -238.302490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.302490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.302490 (E_RNA)
where:
Base-Base interactions energy: -151.827
where: short stacking energy: -68.882
Base-Backbone interact. energy: -1.077
local terms energy: -85.399037
where:
bonds (distance) C4'-P energy: -20.128
bonds (distance) P-C4' energy: -18.996
flat angles C4'-P-C4' energy: -23.490
flat angles P-C4'-P energy: -11.886
tors. eta vs tors. theta energy: -10.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -242.150588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.150588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.150588 (E_RNA)
where:
Base-Base interactions energy: -153.609
where: short stacking energy: -71.555
Base-Backbone interact. energy: -0.135
local terms energy: -88.406449
where:
bonds (distance) C4'-P energy: -19.999
bonds (distance) P-C4' energy: -18.696
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -15.202
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: 9, replica: 6
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -202.804212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.804212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.804212 (E_RNA)
where:
Base-Base interactions energy: -128.039
where: short stacking energy: -65.850
Base-Backbone interact. energy: -0.168
local terms energy: -74.597757
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -22.192
flat angles C4'-P-C4' energy: -17.812
flat angles P-C4'-P energy: -9.217
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: 10, replica: 9
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -105.575322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.575322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.575322 (E_RNA)
where:
Base-Base interactions energy: -32.751
where: short stacking energy: -26.322
Base-Backbone interact. energy: 0.471
local terms energy: -73.295682
where:
bonds (distance) C4'-P energy: -22.383
bonds (distance) P-C4' energy: -23.771
flat angles C4'-P-C4' energy: -12.208
flat angles P-C4'-P energy: -12.121
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: 1, replica: 5
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -365.701777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.701777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.701777 (E_RNA)
where:
Base-Base interactions energy: -254.055
where: short stacking energy: -105.373
Base-Backbone interact. energy: -0.304
local terms energy: -111.342686
where:
bonds (distance) C4'-P energy: -21.494
bonds (distance) P-C4' energy: -19.897
flat angles C4'-P-C4' energy: -22.529
flat angles P-C4'-P energy: -15.301
tors. eta vs tors. theta energy: -32.121
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: 4
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -331.481535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.481535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.481535 (E_RNA)
where:
Base-Base interactions energy: -220.423
where: short stacking energy: -106.054
Base-Backbone interact. energy: -0.593
local terms energy: -110.465102
where:
bonds (distance) C4'-P energy: -21.541
bonds (distance) P-C4' energy: -22.657
flat angles C4'-P-C4' energy: -21.426
flat angles P-C4'-P energy: -15.531
tors. eta vs tors. theta energy: -29.310
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: 10
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -339.563910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.563910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.563910 (E_RNA)
where:
Base-Base interactions energy: -234.523
where: short stacking energy: -102.931
Base-Backbone interact. energy: -2.510
local terms energy: -102.531546
where:
bonds (distance) C4'-P energy: -16.726
bonds (distance) P-C4' energy: -21.014
flat angles C4'-P-C4' energy: -23.597
flat angles P-C4'-P energy: -12.968
tors. eta vs tors. theta energy: -28.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -283.179253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.179253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.179253 (E_RNA)
where:
Base-Base interactions energy: -191.818
where: short stacking energy: -95.484
Base-Backbone interact. energy: -0.075
local terms energy: -91.285468
where:
bonds (distance) C4'-P energy: -24.735
bonds (distance) P-C4' energy: -11.711
flat angles C4'-P-C4' energy: -16.951
flat angles P-C4'-P energy: -12.330
tors. eta vs tors. theta energy: -25.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -239.625884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.625884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.625884 (E_RNA)
where:
Base-Base interactions energy: -145.236
where: short stacking energy: -72.291
Base-Backbone interact. energy: 1.685
local terms energy: -96.075472
where:
bonds (distance) C4'-P energy: -19.861
bonds (distance) P-C4' energy: -18.507
flat angles C4'-P-C4' energy: -22.241
flat angles P-C4'-P energy: -17.613
tors. eta vs tors. theta energy: -17.853
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: 3
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -257.870933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.870933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.870933 (E_RNA)
where:
Base-Base interactions energy: -159.899
where: short stacking energy: -81.576
Base-Backbone interact. energy: -1.047
local terms energy: -96.925652
where:
bonds (distance) C4'-P energy: -25.961
bonds (distance) P-C4' energy: -21.320
flat angles C4'-P-C4' energy: -20.589
flat angles P-C4'-P energy: -10.768
tors. eta vs tors. theta energy: -18.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -241.970023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.970023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.970023 (E_RNA)
where:
Base-Base interactions energy: -155.225
where: short stacking energy: -71.521
Base-Backbone interact. energy: -0.112
local terms energy: -86.633153
where:
bonds (distance) C4'-P energy: -21.618
bonds (distance) P-C4' energy: -18.966
flat angles C4'-P-C4' energy: -22.298
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -13.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -208.757277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.757277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.757277 (E_RNA)
where:
Base-Base interactions energy: -127.148
where: short stacking energy: -63.367
Base-Backbone interact. energy: -0.421
local terms energy: -81.188975
where:
bonds (distance) C4'-P energy: -17.586
bonds (distance) P-C4' energy: -19.430
flat angles C4'-P-C4' energy: -20.718
flat angles P-C4'-P energy: -7.872
tors. eta vs tors. theta energy: -15.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -222.163743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.163743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.163743 (E_RNA)
where:
Base-Base interactions energy: -141.108
where: short stacking energy: -78.202
Base-Backbone interact. energy: -0.198
local terms energy: -80.857991
where:
bonds (distance) C4'-P energy: -19.378
bonds (distance) P-C4' energy: -24.656
flat angles C4'-P-C4' energy: -20.455
flat angles P-C4'-P energy: -8.527
tors. eta vs tors. theta energy: -7.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -116.582615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.582615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.582615 (E_RNA)
where:
Base-Base interactions energy: -48.626
where: short stacking energy: -39.115
Base-Backbone interact. energy: 0.097
local terms energy: -68.053588
where:
bonds (distance) C4'-P energy: -21.885
bonds (distance) P-C4' energy: -20.664
flat angles C4'-P-C4' energy: -12.514
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -0.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -372.580409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.580409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.580409 (E_RNA)
where:
Base-Base interactions energy: -247.743
where: short stacking energy: -100.953
Base-Backbone interact. energy: -0.104
local terms energy: -124.733430
where:
bonds (distance) C4'-P energy: -23.518
bonds (distance) P-C4' energy: -25.445
flat angles C4'-P-C4' energy: -25.544
flat angles P-C4'-P energy: -14.990
tors. eta vs tors. theta energy: -35.237
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: 10
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -357.235291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.235291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.235291 (E_RNA)
where:
Base-Base interactions energy: -246.719
where: short stacking energy: -94.253
Base-Backbone interact. energy: -1.690
local terms energy: -108.826249
where:
bonds (distance) C4'-P energy: -20.467
bonds (distance) P-C4' energy: -24.377
flat angles C4'-P-C4' energy: -24.315
flat angles P-C4'-P energy: -21.464
tors. eta vs tors. theta energy: -18.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -327.384386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.384386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.384386 (E_RNA)
where:
Base-Base interactions energy: -223.901
where: short stacking energy: -99.323
Base-Backbone interact. energy: -0.222
local terms energy: -103.261188
where:
bonds (distance) C4'-P energy: -20.135
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -22.934
flat angles P-C4'-P energy: -16.191
tors. eta vs tors. theta energy: -26.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -274.190947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.190947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.190947 (E_RNA)
where:
Base-Base interactions energy: -171.577
where: short stacking energy: -91.440
Base-Backbone interact. energy: -0.114
local terms energy: -102.499832
where:
bonds (distance) C4'-P energy: -22.170
bonds (distance) P-C4' energy: -24.824
flat angles C4'-P-C4' energy: -21.309
flat angles P-C4'-P energy: -13.782
tors. eta vs tors. theta energy: -20.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -240.824497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.824497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.824497 (E_RNA)
where:
Base-Base interactions energy: -147.198
where: short stacking energy: -79.573
Base-Backbone interact. energy: -1.054
local terms energy: -92.572653
where:
bonds (distance) C4'-P energy: -21.543
bonds (distance) P-C4' energy: -15.121
flat angles C4'-P-C4' energy: -20.083
flat angles P-C4'-P energy: -17.213
tors. eta vs tors. theta energy: -18.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -250.615094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.615094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.615094 (E_RNA)
where:
Base-Base interactions energy: -155.609
where: short stacking energy: -75.138
Base-Backbone interact. energy: -0.236
local terms energy: -94.770465
where:
bonds (distance) C4'-P energy: -21.191
bonds (distance) P-C4' energy: -23.136
flat angles C4'-P-C4' energy: -16.956
flat angles P-C4'-P energy: -13.347
tors. eta vs tors. theta energy: -20.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -250.071588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.071588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.071588 (E_RNA)
where:
Base-Base interactions energy: -168.604
where: short stacking energy: -83.028
Base-Backbone interact. energy: -0.670
local terms energy: -80.797032
where:
bonds (distance) C4'-P energy: -19.995
bonds (distance) P-C4' energy: -10.463
flat angles C4'-P-C4' energy: -21.850
flat angles P-C4'-P energy: -13.281
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: 8, replica: 6
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -228.121156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.121156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.121156 (E_RNA)
where:
Base-Base interactions energy: -148.488
where: short stacking energy: -76.783
Base-Backbone interact. energy: -0.106
local terms energy: -79.526979
where:
bonds (distance) C4'-P energy: -21.869
bonds (distance) P-C4' energy: -9.463
flat angles C4'-P-C4' energy: -22.760
flat angles P-C4'-P energy: -5.932
tors. eta vs tors. theta energy: -19.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -194.653284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.653284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.653284 (E_RNA)
where:
Base-Base interactions energy: -127.435
where: short stacking energy: -52.228
Base-Backbone interact. energy: -0.456
local terms energy: -66.762600
where:
bonds (distance) C4'-P energy: -20.438
bonds (distance) P-C4' energy: -14.878
flat angles C4'-P-C4' energy: -17.044
flat angles P-C4'-P energy: -11.448
tors. eta vs tors. theta energy: -2.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -121.545827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.545827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.545827 (E_RNA)
where:
Base-Base interactions energy: -46.710
where: short stacking energy: -39.025
Base-Backbone interact. energy: -0.120
local terms energy: -74.715896
where:
bonds (distance) C4'-P energy: -25.438
bonds (distance) P-C4' energy: -20.533
flat angles C4'-P-C4' energy: -16.286
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -2.769
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: 10
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -353.530490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.530490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.530490 (E_RNA)
where:
Base-Base interactions energy: -248.822
where: short stacking energy: -92.250
Base-Backbone interact. energy: -1.060
local terms energy: -103.647929
where:
bonds (distance) C4'-P energy: -21.596
bonds (distance) P-C4' energy: -19.395
flat angles C4'-P-C4' energy: -23.878
flat angles P-C4'-P energy: -15.937
tors. eta vs tors. theta energy: -22.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -361.914418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.914418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.914418 (E_RNA)
where:
Base-Base interactions energy: -243.561
where: short stacking energy: -99.837
Base-Backbone interact. energy: -0.294
local terms energy: -118.059321
where:
bonds (distance) C4'-P energy: -19.662
bonds (distance) P-C4' energy: -24.964
flat angles C4'-P-C4' energy: -25.868
flat angles P-C4'-P energy: -17.920
tors. eta vs tors. theta energy: -29.645
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: 4
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -333.909495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.909495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.909495 (E_RNA)
where:
Base-Base interactions energy: -232.319
where: short stacking energy: -97.601
Base-Backbone interact. energy: -0.140
local terms energy: -101.450359
where:
bonds (distance) C4'-P energy: -17.832
bonds (distance) P-C4' energy: -17.609
flat angles C4'-P-C4' energy: -23.474
flat angles P-C4'-P energy: -15.652
tors. eta vs tors. theta energy: -26.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -280.565606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.565606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.565606 (E_RNA)
where:
Base-Base interactions energy: -179.519
where: short stacking energy: -83.044
Base-Backbone interact. energy: -0.180
local terms energy: -100.867372
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -22.299
flat angles C4'-P-C4' energy: -23.719
flat angles P-C4'-P energy: -18.311
tors. eta vs tors. theta energy: -21.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -261.379239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.379239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.379239 (E_RNA)
where:
Base-Base interactions energy: -163.735
where: short stacking energy: -80.548
Base-Backbone interact. energy: -0.087
local terms energy: -97.557630
where:
bonds (distance) C4'-P energy: -20.359
bonds (distance) P-C4' energy: -21.922
flat angles C4'-P-C4' energy: -22.446
flat angles P-C4'-P energy: -15.033
tors. eta vs tors. theta energy: -17.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -227.548378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.548378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.548378 (E_RNA)
where:
Base-Base interactions energy: -145.665
where: short stacking energy: -82.166
Base-Backbone interact. energy: 1.564
local terms energy: -83.447115
where:
bonds (distance) C4'-P energy: -23.804
bonds (distance) P-C4' energy: -17.052
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -8.954
tors. eta vs tors. theta energy: -18.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -217.251846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.251846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.251846 (E_RNA)
where:
Base-Base interactions energy: -133.816
where: short stacking energy: -52.372
Base-Backbone interact. energy: -0.218
local terms energy: -83.217652
where:
bonds (distance) C4'-P energy: -23.630
bonds (distance) P-C4' energy: -19.633
flat angles C4'-P-C4' energy: -21.888
flat angles P-C4'-P energy: -11.207
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: 8, replica: 1
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -257.444319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.444319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.444319 (E_RNA)
where:
Base-Base interactions energy: -173.386
where: short stacking energy: -68.873
Base-Backbone interact. energy: -0.921
local terms energy: -83.137811
where:
bonds (distance) C4'-P energy: -18.056
bonds (distance) P-C4' energy: -16.791
flat angles C4'-P-C4' energy: -25.267
flat angles P-C4'-P energy: -13.067
tors. eta vs tors. theta energy: -9.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -202.723565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.723565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.723565 (E_RNA)
where:
Base-Base interactions energy: -122.556
where: short stacking energy: -58.596
Base-Backbone interact. energy: 0.123
local terms energy: -80.290118
where:
bonds (distance) C4'-P energy: -24.908
bonds (distance) P-C4' energy: -21.189
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -7.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -118.682909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.682909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.682909 (E_RNA)
where:
Base-Base interactions energy: -48.140
where: short stacking energy: -38.342
Base-Backbone interact. energy: -1.042
local terms energy: -69.501027
where:
bonds (distance) C4'-P energy: -16.717
bonds (distance) P-C4' energy: -21.783
flat angles C4'-P-C4' energy: -20.463
flat angles P-C4'-P energy: -11.179
tors. eta vs tors. theta energy: 0.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -357.245169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.245169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.245169 (E_RNA)
where:
Base-Base interactions energy: -254.109
where: short stacking energy: -97.711
Base-Backbone interact. energy: 0.334
local terms energy: -103.469382
where:
bonds (distance) C4'-P energy: -15.930
bonds (distance) P-C4' energy: -19.525
flat angles C4'-P-C4' energy: -27.059
flat angles P-C4'-P energy: -17.188
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: 2, replica: 5
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -362.736241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.736241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.736241 (E_RNA)
where:
Base-Base interactions energy: -259.131
where: short stacking energy: -106.992
Base-Backbone interact. energy: -0.499
local terms energy: -103.106136
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -21.663
flat angles C4'-P-C4' energy: -22.509
flat angles P-C4'-P energy: -11.460
tors. eta vs tors. theta energy: -32.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -338.059281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.059281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.059281 (E_RNA)
where:
Base-Base interactions energy: -225.040
where: short stacking energy: -101.260
Base-Backbone interact. energy: -0.226
local terms energy: -112.793262
where:
bonds (distance) C4'-P energy: -21.861
bonds (distance) P-C4' energy: -23.247
flat angles C4'-P-C4' energy: -22.927
flat angles P-C4'-P energy: -19.223
tors. eta vs tors. theta energy: -25.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -299.877568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.877568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.877568 (E_RNA)
where:
Base-Base interactions energy: -198.101
where: short stacking energy: -93.805
Base-Backbone interact. energy: -0.633
local terms energy: -101.143286
where:
bonds (distance) C4'-P energy: -21.742
bonds (distance) P-C4' energy: -21.369
flat angles C4'-P-C4' energy: -20.693
flat angles P-C4'-P energy: -12.042
tors. eta vs tors. theta energy: -25.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -275.042251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.042251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.042251 (E_RNA)
where:
Base-Base interactions energy: -178.998
where: short stacking energy: -87.133
Base-Backbone interact. energy: -0.142
local terms energy: -95.901572
where:
bonds (distance) C4'-P energy: -21.510
bonds (distance) P-C4' energy: -19.702
flat angles C4'-P-C4' energy: -21.399
flat angles P-C4'-P energy: -12.654
tors. eta vs tors. theta energy: -20.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -219.373398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.373398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.373398 (E_RNA)
where:
Base-Base interactions energy: -133.995
where: short stacking energy: -59.968
Base-Backbone interact. energy: 1.422
local terms energy: -86.799486
where:
bonds (distance) C4'-P energy: -16.079
bonds (distance) P-C4' energy: -18.713
flat angles C4'-P-C4' energy: -23.583
flat angles P-C4'-P energy: -16.834
tors. eta vs tors. theta energy: -11.591
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: 8
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -245.856076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.856076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.856076 (E_RNA)
where:
Base-Base interactions energy: -157.236
where: short stacking energy: -70.511
Base-Backbone interact. energy: -0.550
local terms energy: -88.069362
where:
bonds (distance) C4'-P energy: -22.460
bonds (distance) P-C4' energy: -18.117
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -15.579
tors. eta vs tors. theta energy: -16.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -259.453265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.453265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.453265 (E_RNA)
where:
Base-Base interactions energy: -174.165
where: short stacking energy: -80.832
Base-Backbone interact. energy: -0.179
local terms energy: -85.108883
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -19.391
flat angles C4'-P-C4' energy: -19.116
flat angles P-C4'-P energy: -10.865
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: 9, replica: 2
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -234.394411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.394411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.394411 (E_RNA)
where:
Base-Base interactions energy: -149.807
where: short stacking energy: -69.066
Base-Backbone interact. energy: -0.258
local terms energy: -84.330198
where:
bonds (distance) C4'-P energy: -16.370
bonds (distance) P-C4' energy: -16.330
flat angles C4'-P-C4' energy: -19.959
flat angles P-C4'-P energy: -15.880
tors. eta vs tors. theta energy: -15.791
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: 9
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -123.455273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.455273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.455273 (E_RNA)
where:
Base-Base interactions energy: -43.220
where: short stacking energy: -41.055
Base-Backbone interact. energy: 0.429
local terms energy: -80.664254
where:
bonds (distance) C4'-P energy: -23.235
bonds (distance) P-C4' energy: -20.776
flat angles C4'-P-C4' energy: -19.270
flat angles P-C4'-P energy: -13.793
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: 1, replica: 5
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -371.403523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.403523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.403523 (E_RNA)
where:
Base-Base interactions energy: -256.609
where: short stacking energy: -109.429
Base-Backbone interact. energy: -0.124
local terms energy: -114.671159
where:
bonds (distance) C4'-P energy: -23.811
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -27.934
flat angles P-C4'-P energy: -14.773
tors. eta vs tors. theta energy: -33.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -350.076737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.076737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.076737 (E_RNA)
where:
Base-Base interactions energy: -231.670
where: short stacking energy: -95.594
Base-Backbone interact. energy: -0.897
local terms energy: -117.509816
where:
bonds (distance) C4'-P energy: -25.655
bonds (distance) P-C4' energy: -25.098
flat angles C4'-P-C4' energy: -25.494
flat angles P-C4'-P energy: -16.318
tors. eta vs tors. theta energy: -24.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -331.411765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.411765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.411765 (E_RNA)
where:
Base-Base interactions energy: -224.721
where: short stacking energy: -98.630
Base-Backbone interact. energy: -0.344
local terms energy: -106.346915
where:
bonds (distance) C4'-P energy: -19.377
bonds (distance) P-C4' energy: -23.624
flat angles C4'-P-C4' energy: -23.487
flat angles P-C4'-P energy: -20.229
tors. eta vs tors. theta energy: -19.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -300.801555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.801555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.801555 (E_RNA)
where:
Base-Base interactions energy: -203.100
where: short stacking energy: -91.583
Base-Backbone interact. energy: -0.217
local terms energy: -97.483921
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -21.540
flat angles C4'-P-C4' energy: -25.162
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: -25.689
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: 7
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -261.505013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.505013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.505013 (E_RNA)
where:
Base-Base interactions energy: -159.610
where: short stacking energy: -76.542
Base-Backbone interact. energy: -1.580
local terms energy: -100.315477
where:
bonds (distance) C4'-P energy: -20.953
bonds (distance) P-C4' energy: -24.827
flat angles C4'-P-C4' energy: -20.410
flat angles P-C4'-P energy: -19.345
tors. eta vs tors. theta energy: -14.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -220.718096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.718096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.718096 (E_RNA)
where:
Base-Base interactions energy: -130.591
where: short stacking energy: -55.329
Base-Backbone interact. energy: -0.425
local terms energy: -89.702584
where:
bonds (distance) C4'-P energy: -24.130
bonds (distance) P-C4' energy: -23.287
flat angles C4'-P-C4' energy: -18.901
flat angles P-C4'-P energy: -17.070
tors. eta vs tors. theta energy: -6.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -260.750505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.750505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.750505 (E_RNA)
where:
Base-Base interactions energy: -168.096
where: short stacking energy: -78.478
Base-Backbone interact. energy: -0.107
local terms energy: -92.547518
where:
bonds (distance) C4'-P energy: -16.850
bonds (distance) P-C4' energy: -19.450
flat angles C4'-P-C4' energy: -18.834
flat angles P-C4'-P energy: -14.913
tors. eta vs tors. theta energy: -22.500
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: 8, replica: 8
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -235.049666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.049666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.049666 (E_RNA)
where:
Base-Base interactions energy: -146.397
where: short stacking energy: -62.474
Base-Backbone interact. energy: -0.270
local terms energy: -88.382151
where:
bonds (distance) C4'-P energy: -18.908
bonds (distance) P-C4' energy: -21.161
flat angles C4'-P-C4' energy: -20.739
flat angles P-C4'-P energy: -14.519
tors. eta vs tors. theta energy: -13.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -235.341301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.341301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.341301 (E_RNA)
where:
Base-Base interactions energy: -146.683
where: short stacking energy: -62.140
Base-Backbone interact. energy: -0.226
local terms energy: -88.432693
where:
bonds (distance) C4'-P energy: -27.060
bonds (distance) P-C4' energy: -20.387
flat angles C4'-P-C4' energy: -21.236
flat angles P-C4'-P energy: -12.673
tors. eta vs tors. theta energy: -7.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -110.254061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.254061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.254061 (E_RNA)
where:
Base-Base interactions energy: -44.332
where: short stacking energy: -43.567
Base-Backbone interact. energy: -0.122
local terms energy: -65.799798
where:
bonds (distance) C4'-P energy: -18.524
bonds (distance) P-C4' energy: -18.685
flat angles C4'-P-C4' energy: -18.832
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: -1.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -367.835369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.835369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.835369 (E_RNA)
where:
Base-Base interactions energy: -252.433
where: short stacking energy: -109.968
Base-Backbone interact. energy: -0.833
local terms energy: -114.569166
where:
bonds (distance) C4'-P energy: -22.470
bonds (distance) P-C4' energy: -20.489
flat angles C4'-P-C4' energy: -27.185
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -33.706
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: 10
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -335.301355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.301355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.301355 (E_RNA)
where:
Base-Base interactions energy: -221.716
where: short stacking energy: -98.238
Base-Backbone interact. energy: -1.171
local terms energy: -112.413875
where:
bonds (distance) C4'-P energy: -23.122
bonds (distance) P-C4' energy: -23.738
flat angles C4'-P-C4' energy: -23.722
flat angles P-C4'-P energy: -17.747
tors. eta vs tors. theta energy: -24.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -332.231903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.231903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.231903 (E_RNA)
where:
Base-Base interactions energy: -216.653
where: short stacking energy: -95.775
Base-Backbone interact. energy: -0.857
local terms energy: -114.722201
where:
bonds (distance) C4'-P energy: -23.440
bonds (distance) P-C4' energy: -23.266
flat angles C4'-P-C4' energy: -26.051
flat angles P-C4'-P energy: -12.935
tors. eta vs tors. theta energy: -29.030
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: 7
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -270.300973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.300973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.300973 (E_RNA)
where:
Base-Base interactions energy: -168.046
where: short stacking energy: -79.730
Base-Backbone interact. energy: -0.623
local terms energy: -101.631752
where:
bonds (distance) C4'-P energy: -20.429
bonds (distance) P-C4' energy: -23.292
flat angles C4'-P-C4' energy: -24.514
flat angles P-C4'-P energy: -14.098
tors. eta vs tors. theta energy: -19.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -288.317045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.317045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.317045 (E_RNA)
where:
Base-Base interactions energy: -185.896
where: short stacking energy: -75.068
Base-Backbone interact. energy: -0.107
local terms energy: -102.313797
where:
bonds (distance) C4'-P energy: -20.600
bonds (distance) P-C4' energy: -22.872
flat angles C4'-P-C4' energy: -23.994
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -22.268
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: 1
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -275.013729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.013729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.013729 (E_RNA)
where:
Base-Base interactions energy: -169.669
where: short stacking energy: -78.122
Base-Backbone interact. energy: -0.004
local terms energy: -105.341624
where:
bonds (distance) C4'-P energy: -23.430
bonds (distance) P-C4' energy: -23.108
flat angles C4'-P-C4' energy: -23.882
flat angles P-C4'-P energy: -14.365
tors. eta vs tors. theta energy: -20.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -239.980823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.980823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.980823 (E_RNA)
where:
Base-Base interactions energy: -155.686
where: short stacking energy: -79.294
Base-Backbone interact. energy: -0.835
local terms energy: -83.459593
where:
bonds (distance) C4'-P energy: -20.011
bonds (distance) P-C4' energy: -19.452
flat angles C4'-P-C4' energy: -16.064
flat angles P-C4'-P energy: -9.292
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: 8, replica: 8
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -259.671996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.671996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.671996 (E_RNA)
where:
Base-Base interactions energy: -170.141
where: short stacking energy: -65.693
Base-Backbone interact. energy: -1.593
local terms energy: -87.937728
where:
bonds (distance) C4'-P energy: -16.697
bonds (distance) P-C4' energy: -18.489
flat angles C4'-P-C4' energy: -23.227
flat angles P-C4'-P energy: -15.160
tors. eta vs tors. theta energy: -14.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -201.554187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.554187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.554187 (E_RNA)
where:
Base-Base interactions energy: -127.727
where: short stacking energy: -53.352
Base-Backbone interact. energy: 0.083
local terms energy: -73.910598
where:
bonds (distance) C4'-P energy: -17.312
bonds (distance) P-C4' energy: -22.824
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -11.550
tors. eta vs tors. theta energy: -6.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -97.410104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.410104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.410104 (E_RNA)
where:
Base-Base interactions energy: -24.141
where: short stacking energy: -24.141
Base-Backbone interact. energy: 0.051
local terms energy: -73.320082
where:
bonds (distance) C4'-P energy: -23.062
bonds (distance) P-C4' energy: -23.955
flat angles C4'-P-C4' energy: -19.605
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: 3.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -373.464667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.464667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.464667 (E_RNA)
where:
Base-Base interactions energy: -250.653
where: short stacking energy: -110.393
Base-Backbone interact. energy: -0.248
local terms energy: -122.564512
where:
bonds (distance) C4'-P energy: -26.967
bonds (distance) P-C4' energy: -23.634
flat angles C4'-P-C4' energy: -21.624
flat angles P-C4'-P energy: -16.546
tors. eta vs tors. theta energy: -33.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -327.430081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.430081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.430081 (E_RNA)
where:
Base-Base interactions energy: -209.127
where: short stacking energy: -91.354
Base-Backbone interact. energy: -2.319
local terms energy: -115.983469
where:
bonds (distance) C4'-P energy: -25.088
bonds (distance) P-C4' energy: -22.622
flat angles C4'-P-C4' energy: -23.977
flat angles P-C4'-P energy: -15.149
tors. eta vs tors. theta energy: -29.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -323.846991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.846991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.846991 (E_RNA)
where:
Base-Base interactions energy: -217.442
where: short stacking energy: -95.941
Base-Backbone interact. energy: -0.284
local terms energy: -106.121588
where:
bonds (distance) C4'-P energy: -23.158
bonds (distance) P-C4' energy: -16.795
flat angles C4'-P-C4' energy: -21.773
flat angles P-C4'-P energy: -16.196
tors. eta vs tors. theta energy: -28.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -284.014484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.014484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.014484 (E_RNA)
where:
Base-Base interactions energy: -180.175
where: short stacking energy: -88.535
Base-Backbone interact. energy: -0.091
local terms energy: -103.748863
where:
bonds (distance) C4'-P energy: -19.738
bonds (distance) P-C4' energy: -20.703
flat angles C4'-P-C4' energy: -24.357
flat angles P-C4'-P energy: -14.060
tors. eta vs tors. theta energy: -24.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -287.976818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.976818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.976818 (E_RNA)
where:
Base-Base interactions energy: -190.932
where: short stacking energy: -82.392
Base-Backbone interact. energy: -0.156
local terms energy: -96.889391
where:
bonds (distance) C4'-P energy: -19.635
bonds (distance) P-C4' energy: -18.866
flat angles C4'-P-C4' energy: -16.640
flat angles P-C4'-P energy: -16.561
tors. eta vs tors. theta energy: -25.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -268.080360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.080360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.080360 (E_RNA)
where:
Base-Base interactions energy: -179.256
where: short stacking energy: -84.866
Base-Backbone interact. energy: -0.173
local terms energy: -88.650854
where:
bonds (distance) C4'-P energy: -17.561
bonds (distance) P-C4' energy: -13.672
flat angles C4'-P-C4' energy: -24.633
flat angles P-C4'-P energy: -11.659
tors. eta vs tors. theta energy: -21.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -239.811658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.811658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.811658 (E_RNA)
where:
Base-Base interactions energy: -152.535
where: short stacking energy: -72.733
Base-Backbone interact. energy: -0.577
local terms energy: -86.699616
where:
bonds (distance) C4'-P energy: -12.887
bonds (distance) P-C4' energy: -19.422
flat angles C4'-P-C4' energy: -21.220
flat angles P-C4'-P energy: -16.780
tors. eta vs tors. theta energy: -16.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -244.060920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.060920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.060920 (E_RNA)
where:
Base-Base interactions energy: -149.944
where: short stacking energy: -70.235
Base-Backbone interact. energy: -0.054
local terms energy: -94.063146
where:
bonds (distance) C4'-P energy: -19.047
bonds (distance) P-C4' energy: -23.735
flat angles C4'-P-C4' energy: -22.183
flat angles P-C4'-P energy: -12.426
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: 9, replica: 2
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -214.976337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.976337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.976337 (E_RNA)
where:
Base-Base interactions energy: -132.948
where: short stacking energy: -63.564
Base-Backbone interact. energy: -0.261
local terms energy: -81.766667
where:
bonds (distance) C4'-P energy: -22.089
bonds (distance) P-C4' energy: -20.743
flat angles C4'-P-C4' energy: -18.189
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: -11.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -106.486334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.486334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.486334 (E_RNA)
where:
Base-Base interactions energy: -34.060
where: short stacking energy: -32.854
Base-Backbone interact. energy: 0.290
local terms energy: -72.715752
where:
bonds (distance) C4'-P energy: -17.386
bonds (distance) P-C4' energy: -22.455
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -8.378
tors. eta vs tors. theta energy: -8.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -365.687040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.687040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.687040 (E_RNA)
where:
Base-Base interactions energy: -254.702
where: short stacking energy: -102.586
Base-Backbone interact. energy: -0.094
local terms energy: -110.890762
where:
bonds (distance) C4'-P energy: -20.753
bonds (distance) P-C4' energy: -24.582
flat angles C4'-P-C4' energy: -18.337
flat angles P-C4'-P energy: -15.140
tors. eta vs tors. theta energy: -32.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -344.370282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.370282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.370282 (E_RNA)
where:
Base-Base interactions energy: -228.311
where: short stacking energy: -112.128
Base-Backbone interact. energy: 0.605
local terms energy: -116.663751
where:
bonds (distance) C4'-P energy: -21.182
bonds (distance) P-C4' energy: -20.371
flat angles C4'-P-C4' energy: -25.739
flat angles P-C4'-P energy: -19.406
tors. eta vs tors. theta energy: -29.966
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: 10
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -329.826107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.826107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.826107 (E_RNA)
where:
Base-Base interactions energy: -228.046
where: short stacking energy: -95.511
Base-Backbone interact. energy: -0.786
local terms energy: -100.994598
where:
bonds (distance) C4'-P energy: -18.776
bonds (distance) P-C4' energy: -23.375
flat angles C4'-P-C4' energy: -21.755
flat angles P-C4'-P energy: -9.001
tors. eta vs tors. theta energy: -28.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -287.916483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.916483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.916483 (E_RNA)
where:
Base-Base interactions energy: -181.667
where: short stacking energy: -85.858
Base-Backbone interact. energy: -0.098
local terms energy: -106.151870
where:
bonds (distance) C4'-P energy: -17.878
bonds (distance) P-C4' energy: -24.805
flat angles C4'-P-C4' energy: -23.480
flat angles P-C4'-P energy: -14.077
tors. eta vs tors. theta energy: -25.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -259.126919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.126919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.126919 (E_RNA)
where:
Base-Base interactions energy: -164.890
where: short stacking energy: -68.992
Base-Backbone interact. energy: -0.412
local terms energy: -93.825222
where:
bonds (distance) C4'-P energy: -18.546
bonds (distance) P-C4' energy: -24.410
flat angles C4'-P-C4' energy: -21.340
flat angles P-C4'-P energy: -17.335
tors. eta vs tors. theta energy: -12.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -250.448480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.448480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.448480 (E_RNA)
where:
Base-Base interactions energy: -166.419
where: short stacking energy: -86.673
Base-Backbone interact. energy: -0.221
local terms energy: -83.808161
where:
bonds (distance) C4'-P energy: -16.753
bonds (distance) P-C4' energy: -18.440
flat angles C4'-P-C4' energy: -20.383
flat angles P-C4'-P energy: -14.040
tors. eta vs tors. theta energy: -14.191
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: 3
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -255.158392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.158392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.158392 (E_RNA)
where:
Base-Base interactions energy: -168.387
where: short stacking energy: -73.750
Base-Backbone interact. energy: -0.077
local terms energy: -86.694157
where:
bonds (distance) C4'-P energy: -17.359
bonds (distance) P-C4' energy: -18.565
flat angles C4'-P-C4' energy: -24.230
flat angles P-C4'-P energy: -13.606
tors. eta vs tors. theta energy: -12.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -222.687040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.687040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.687040 (E_RNA)
where:
Base-Base interactions energy: -134.453
where: short stacking energy: -52.793
Base-Backbone interact. energy: -0.293
local terms energy: -87.940257
where:
bonds (distance) C4'-P energy: -23.703
bonds (distance) P-C4' energy: -24.204
flat angles C4'-P-C4' energy: -23.505
flat angles P-C4'-P energy: -5.767
tors. eta vs tors. theta energy: -10.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -175.606172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.606172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.606172 (E_RNA)
where:
Base-Base interactions energy: -95.705
where: short stacking energy: -41.180
Base-Backbone interact. energy: -0.721
local terms energy: -79.180310
where:
bonds (distance) C4'-P energy: -23.084
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -19.138
flat angles P-C4'-P energy: -15.253
tors. eta vs tors. theta energy: -6.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -112.425697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.425697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.425697 (E_RNA)
where:
Base-Base interactions energy: -35.309
where: short stacking energy: -34.735
Base-Backbone interact. energy: -0.334
local terms energy: -76.782778
where:
bonds (distance) C4'-P energy: -21.754
bonds (distance) P-C4' energy: -23.500
flat angles C4'-P-C4' energy: -17.885
flat angles P-C4'-P energy: -11.988
tors. eta vs tors. theta energy: -1.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -374.798977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.798977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.798977 (E_RNA)
where:
Base-Base interactions energy: -261.402
where: short stacking energy: -114.401
Base-Backbone interact. energy: 1.894
local terms energy: -115.290734
where:
bonds (distance) C4'-P energy: -20.333
bonds (distance) P-C4' energy: -22.242
flat angles C4'-P-C4' energy: -22.494
flat angles P-C4'-P energy: -17.287
tors. eta vs tors. theta energy: -32.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -342.573394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.573394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.573394 (E_RNA)
where:
Base-Base interactions energy: -234.969
where: short stacking energy: -99.044
Base-Backbone interact. energy: -1.089
local terms energy: -106.515774
where:
bonds (distance) C4'-P energy: -22.482
bonds (distance) P-C4' energy: -21.440
flat angles C4'-P-C4' energy: -22.834
flat angles P-C4'-P energy: -17.714
tors. eta vs tors. theta energy: -22.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -282.034160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.034160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.034160 (E_RNA)
where:
Base-Base interactions energy: -182.313
where: short stacking energy: -92.376
Base-Backbone interact. energy: -0.237
local terms energy: -99.483821
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -18.325
flat angles C4'-P-C4' energy: -20.468
flat angles P-C4'-P energy: -19.309
tors. eta vs tors. theta energy: -25.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -309.624335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.624335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.624335 (E_RNA)
where:
Base-Base interactions energy: -212.370
where: short stacking energy: -82.415
Base-Backbone interact. energy: -0.694
local terms energy: -96.560190
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -26.432
flat angles C4'-P-C4' energy: -20.705
flat angles P-C4'-P energy: -12.568
tors. eta vs tors. theta energy: -21.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -275.512159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.512159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.512159 (E_RNA)
where:
Base-Base interactions energy: -178.593
where: short stacking energy: -81.683
Base-Backbone interact. energy: 2.837
local terms energy: -99.756679
where:
bonds (distance) C4'-P energy: -17.321
bonds (distance) P-C4' energy: -26.213
flat angles C4'-P-C4' energy: -20.704
flat angles P-C4'-P energy: -12.016
tors. eta vs tors. theta energy: -23.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -262.263909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.263909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.263909 (E_RNA)
where:
Base-Base interactions energy: -171.059
where: short stacking energy: -78.482
Base-Backbone interact. energy: -0.490
local terms energy: -90.715134
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -21.505
flat angles C4'-P-C4' energy: -23.416
flat angles P-C4'-P energy: -12.202
tors. eta vs tors. theta energy: -17.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -229.315724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.315724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.315724 (E_RNA)
where:
Base-Base interactions energy: -147.357
where: short stacking energy: -64.736
Base-Backbone interact. energy: 0.387
local terms energy: -82.346096
where:
bonds (distance) C4'-P energy: -18.217
bonds (distance) P-C4' energy: -13.152
flat angles C4'-P-C4' energy: -18.853
flat angles P-C4'-P energy: -19.495
tors. eta vs tors. theta energy: -12.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -241.701539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.701539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.701539 (E_RNA)
where:
Base-Base interactions energy: -164.831
where: short stacking energy: -74.665
Base-Backbone interact. energy: -1.359
local terms energy: -75.511073
where:
bonds (distance) C4'-P energy: -18.286
bonds (distance) P-C4' energy: -10.684
flat angles C4'-P-C4' energy: -23.344
flat angles P-C4'-P energy: -6.692
tors. eta vs tors. theta energy: -16.506
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: 2
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -191.218676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.218676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.218676 (E_RNA)
where:
Base-Base interactions energy: -114.424
where: short stacking energy: -44.975
Base-Backbone interact. energy: -0.383
local terms energy: -76.411900
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -19.469
flat angles C4'-P-C4' energy: -20.044
flat angles P-C4'-P energy: -14.921
tors. eta vs tors. theta energy: -4.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -108.712503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.712503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.712503 (E_RNA)
where:
Base-Base interactions energy: -33.593
where: short stacking energy: -32.131
Base-Backbone interact. energy: 0.480
local terms energy: -75.600205
where:
bonds (distance) C4'-P energy: -18.467
bonds (distance) P-C4' energy: -22.385
flat angles C4'-P-C4' energy: -18.875
flat angles P-C4'-P energy: -15.102
tors. eta vs tors. theta energy: -0.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -379.945453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.945453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.945453 (E_RNA)
where:
Base-Base interactions energy: -258.844
where: short stacking energy: -114.707
Base-Backbone interact. energy: -0.232
local terms energy: -120.869633
where:
bonds (distance) C4'-P energy: -21.262
bonds (distance) P-C4' energy: -24.834
flat angles C4'-P-C4' energy: -24.475
flat angles P-C4'-P energy: -17.764
tors. eta vs tors. theta energy: -32.534
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: 4
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -352.409672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.409672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.409672 (E_RNA)
where:
Base-Base interactions energy: -240.410
where: short stacking energy: -94.791
Base-Backbone interact. energy: -0.356
local terms energy: -111.644601
where:
bonds (distance) C4'-P energy: -22.164
bonds (distance) P-C4' energy: -22.020
flat angles C4'-P-C4' energy: -25.483
flat angles P-C4'-P energy: -16.939
tors. eta vs tors. theta energy: -25.038
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: 1
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -288.527728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.527728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.527728 (E_RNA)
where:
Base-Base interactions energy: -185.803
where: short stacking energy: -90.367
Base-Backbone interact. energy: -0.040
local terms energy: -102.685331
where:
bonds (distance) C4'-P energy: -19.763
bonds (distance) P-C4' energy: -23.154
flat angles C4'-P-C4' energy: -20.991
flat angles P-C4'-P energy: -11.445
tors. eta vs tors. theta energy: -27.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -293.686633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.686633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.686633 (E_RNA)
where:
Base-Base interactions energy: -200.456
where: short stacking energy: -85.533
Base-Backbone interact. energy: -0.269
local terms energy: -92.961017
where:
bonds (distance) C4'-P energy: -24.911
bonds (distance) P-C4' energy: -16.391
flat angles C4'-P-C4' energy: -22.056
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: -18.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -283.201541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.201541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.201541 (E_RNA)
where:
Base-Base interactions energy: -185.621
where: short stacking energy: -72.790
Base-Backbone interact. energy: -0.649
local terms energy: -96.932332
where:
bonds (distance) C4'-P energy: -23.345
bonds (distance) P-C4' energy: -21.088
flat angles C4'-P-C4' energy: -17.935
flat angles P-C4'-P energy: -15.567
tors. eta vs tors. theta energy: -18.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -260.643514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.643514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.643514 (E_RNA)
where:
Base-Base interactions energy: -175.631
where: short stacking energy: -71.373
Base-Backbone interact. energy: -0.672
local terms energy: -84.340875
where:
bonds (distance) C4'-P energy: -21.199
bonds (distance) P-C4' energy: -20.304
flat angles C4'-P-C4' energy: -16.906
flat angles P-C4'-P energy: -7.042
tors. eta vs tors. theta energy: -18.890
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: 8
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -257.944417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.944417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.944417 (E_RNA)
where:
Base-Base interactions energy: -163.293
where: short stacking energy: -82.050
Base-Backbone interact. energy: -0.066
local terms energy: -94.584858
where:
bonds (distance) C4'-P energy: -20.606
bonds (distance) P-C4' energy: -16.081
flat angles C4'-P-C4' energy: -21.270
flat angles P-C4'-P energy: -13.990
tors. eta vs tors. theta energy: -22.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -251.252389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.252389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.252389 (E_RNA)
where:
Base-Base interactions energy: -164.377
where: short stacking energy: -79.120
Base-Backbone interact. energy: 0.094
local terms energy: -86.969957
where:
bonds (distance) C4'-P energy: -20.761
bonds (distance) P-C4' energy: -21.594
flat angles C4'-P-C4' energy: -14.780
flat angles P-C4'-P energy: -14.561
tors. eta vs tors. theta energy: -15.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -190.998048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.998048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.998048 (E_RNA)
where:
Base-Base interactions energy: -111.805
where: short stacking energy: -60.951
Base-Backbone interact. energy: -0.665
local terms energy: -78.528094
where:
bonds (distance) C4'-P energy: -19.340
bonds (distance) P-C4' energy: -25.497
flat angles C4'-P-C4' energy: -13.523
flat angles P-C4'-P energy: -7.062
tors. eta vs tors. theta energy: -13.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -106.013315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.013315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.013315 (E_RNA)
where:
Base-Base interactions energy: -43.628
where: short stacking energy: -43.252
Base-Backbone interact. energy: 2.376
local terms energy: -64.761179
where:
bonds (distance) C4'-P energy: -17.440
bonds (distance) P-C4' energy: -23.976
flat angles C4'-P-C4' energy: -16.459
flat angles P-C4'-P energy: -9.344
tors. eta vs tors. theta energy: 2.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -355.938536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.938536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.938536 (E_RNA)
where:
Base-Base interactions energy: -249.747
where: short stacking energy: -101.830
Base-Backbone interact. energy: -0.297
local terms energy: -105.893793
where:
bonds (distance) C4'-P energy: -16.730
bonds (distance) P-C4' energy: -27.194
flat angles C4'-P-C4' energy: -19.929
flat angles P-C4'-P energy: -11.920
tors. eta vs tors. theta energy: -30.120
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: 5
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -366.157173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.157173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.157173 (E_RNA)
where:
Base-Base interactions energy: -247.420
where: short stacking energy: -112.016
Base-Backbone interact. energy: -0.531
local terms energy: -118.206521
where:
bonds (distance) C4'-P energy: -20.669
bonds (distance) P-C4' energy: -20.118
flat angles C4'-P-C4' energy: -25.147
flat angles P-C4'-P energy: -18.328
tors. eta vs tors. theta energy: -33.945
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: 1
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -298.324318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.324318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.324318 (E_RNA)
where:
Base-Base interactions energy: -194.945
where: short stacking energy: -90.143
Base-Backbone interact. energy: -0.096
local terms energy: -103.283628
where:
bonds (distance) C4'-P energy: -23.712
bonds (distance) P-C4' energy: -22.090
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -17.001
tors. eta vs tors. theta energy: -25.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -292.614812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.614812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.614812 (E_RNA)
where:
Base-Base interactions energy: -183.466
where: short stacking energy: -91.852
Base-Backbone interact. energy: -0.116
local terms energy: -109.033132
where:
bonds (distance) C4'-P energy: -18.791
bonds (distance) P-C4' energy: -23.305
flat angles C4'-P-C4' energy: -23.242
flat angles P-C4'-P energy: -18.547
tors. eta vs tors. theta energy: -25.149
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: 7
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -277.446599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.446599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.446599 (E_RNA)
where:
Base-Base interactions energy: -173.143
where: short stacking energy: -84.740
Base-Backbone interact. energy: -1.179
local terms energy: -103.124692
where:
bonds (distance) C4'-P energy: -22.756
bonds (distance) P-C4' energy: -22.917
flat angles C4'-P-C4' energy: -19.457
flat angles P-C4'-P energy: -16.669
tors. eta vs tors. theta energy: -21.325
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: 10
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -265.910235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.910235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.910235 (E_RNA)
where:
Base-Base interactions energy: -169.390
where: short stacking energy: -88.656
Base-Backbone interact. energy: 0.264
local terms energy: -96.783687
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -26.541
flat angles C4'-P-C4' energy: -22.484
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: -20.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -267.583235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.583235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.583235 (E_RNA)
where:
Base-Base interactions energy: -177.654
where: short stacking energy: -77.981
Base-Backbone interact. energy: -0.014
local terms energy: -89.914940
where:
bonds (distance) C4'-P energy: -18.934
bonds (distance) P-C4' energy: -19.914
flat angles C4'-P-C4' energy: -19.967
flat angles P-C4'-P energy: -12.402
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: 8, replica: 3
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -239.735467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.735467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.735467 (E_RNA)
where:
Base-Base interactions energy: -159.029
where: short stacking energy: -73.830
Base-Backbone interact. energy: 0.316
local terms energy: -81.023024
where:
bonds (distance) C4'-P energy: -14.638
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -19.020
flat angles P-C4'-P energy: -15.761
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: 9, replica: 2
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -202.644426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.644426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.644426 (E_RNA)
where:
Base-Base interactions energy: -109.842
where: short stacking energy: -51.939
Base-Backbone interact. energy: -0.345
local terms energy: -92.457085
where:
bonds (distance) C4'-P energy: -26.437
bonds (distance) P-C4' energy: -20.283
flat angles C4'-P-C4' energy: -22.859
flat angles P-C4'-P energy: -15.544
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: 9
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -106.156059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.156059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.156059 (E_RNA)
where:
Base-Base interactions energy: -39.499
where: short stacking energy: -37.418
Base-Backbone interact. energy: -0.263
local terms energy: -66.394327
where:
bonds (distance) C4'-P energy: -17.689
bonds (distance) P-C4' energy: -23.398
flat angles C4'-P-C4' energy: -11.988
flat angles P-C4'-P energy: -13.152
tors. eta vs tors. theta energy: -0.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -359.259057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.259057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.259057 (E_RNA)
where:
Base-Base interactions energy: -237.577
where: short stacking energy: -102.388
Base-Backbone interact. energy: -0.278
local terms energy: -121.403278
where:
bonds (distance) C4'-P energy: -24.852
bonds (distance) P-C4' energy: -23.039
flat angles C4'-P-C4' energy: -22.302
flat angles P-C4'-P energy: -20.484
tors. eta vs tors. theta energy: -30.727
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: 5
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -366.448284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.448284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.448284 (E_RNA)
where:
Base-Base interactions energy: -249.875
where: short stacking energy: -114.154
Base-Backbone interact. energy: -0.102
local terms energy: -116.471956
where:
bonds (distance) C4'-P energy: -21.060
bonds (distance) P-C4' energy: -23.462
flat angles C4'-P-C4' energy: -21.084
flat angles P-C4'-P energy: -15.083
tors. eta vs tors. theta energy: -35.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -305.862655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.862655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.862655 (E_RNA)
where:
Base-Base interactions energy: -187.140
where: short stacking energy: -100.786
Base-Backbone interact. energy: -0.148
local terms energy: -118.574421
where:
bonds (distance) C4'-P energy: -22.401
bonds (distance) P-C4' energy: -29.151
flat angles C4'-P-C4' energy: -23.671
flat angles P-C4'-P energy: -19.484
tors. eta vs tors. theta energy: -23.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -293.059298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.059298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.059298 (E_RNA)
where:
Base-Base interactions energy: -197.831
where: short stacking energy: -89.118
Base-Backbone interact. energy: -0.566
local terms energy: -94.661903
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -19.729
flat angles C4'-P-C4' energy: -22.742
flat angles P-C4'-P energy: -15.271
tors. eta vs tors. theta energy: -21.865
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: 7
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -271.632563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.632563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.632563 (E_RNA)
where:
Base-Base interactions energy: -178.987
where: short stacking energy: -82.915
Base-Backbone interact. energy: -0.709
local terms energy: -91.936508
where:
bonds (distance) C4'-P energy: -17.587
bonds (distance) P-C4' energy: -24.611
flat angles C4'-P-C4' energy: -23.486
flat angles P-C4'-P energy: -15.414
tors. eta vs tors. theta energy: -10.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -273.091871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.091871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.091871 (E_RNA)
where:
Base-Base interactions energy: -174.939
where: short stacking energy: -74.630
Base-Backbone interact. energy: 0.140
local terms energy: -98.292707
where:
bonds (distance) C4'-P energy: -18.569
bonds (distance) P-C4' energy: -26.670
flat angles C4'-P-C4' energy: -25.042
flat angles P-C4'-P energy: -13.938
tors. eta vs tors. theta energy: -14.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -253.255983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.255983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.255983 (E_RNA)
where:
Base-Base interactions energy: -165.385
where: short stacking energy: -84.257
Base-Backbone interact. energy: 1.486
local terms energy: -89.356792
where:
bonds (distance) C4'-P energy: -17.350
bonds (distance) P-C4' energy: -20.604
flat angles C4'-P-C4' energy: -20.761
flat angles P-C4'-P energy: -14.649
tors. eta vs tors. theta energy: -15.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -259.387451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.387451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.387451 (E_RNA)
where:
Base-Base interactions energy: -160.052
where: short stacking energy: -68.411
Base-Backbone interact. energy: -0.822
local terms energy: -98.513745
where:
bonds (distance) C4'-P energy: -20.703
bonds (distance) P-C4' energy: -23.557
flat angles C4'-P-C4' energy: -19.579
flat angles P-C4'-P energy: -18.331
tors. eta vs tors. theta energy: -16.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -216.859367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.859367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.859367 (E_RNA)
where:
Base-Base interactions energy: -141.910
where: short stacking energy: -59.570
Base-Backbone interact. energy: -0.138
local terms energy: -74.811493
where:
bonds (distance) C4'-P energy: -20.135
bonds (distance) P-C4' energy: -18.629
flat angles C4'-P-C4' energy: -15.298
flat angles P-C4'-P energy: -7.650
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: 10, replica: 9
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -102.562727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.562727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.562727 (E_RNA)
where:
Base-Base interactions energy: -30.213
where: short stacking energy: -24.980
Base-Backbone interact. energy: -0.382
local terms energy: -71.967896
where:
bonds (distance) C4'-P energy: -18.761
bonds (distance) P-C4' energy: -20.253
flat angles C4'-P-C4' energy: -20.106
flat angles P-C4'-P energy: -15.286
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: 1, replica: 5
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -370.577831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.577831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.577831 (E_RNA)
where:
Base-Base interactions energy: -244.452
where: short stacking energy: -108.459
Base-Backbone interact. energy: 0.970
local terms energy: -127.095121
where:
bonds (distance) C4'-P energy: -23.878
bonds (distance) P-C4' energy: -26.343
flat angles C4'-P-C4' energy: -22.832
flat angles P-C4'-P energy: -20.910
tors. eta vs tors. theta energy: -33.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -348.925146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.925146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.925146 (E_RNA)
where:
Base-Base interactions energy: -232.488
where: short stacking energy: -111.043
Base-Backbone interact. energy: -0.192
local terms energy: -116.244595
where:
bonds (distance) C4'-P energy: -23.635
bonds (distance) P-C4' energy: -24.818
flat angles C4'-P-C4' energy: -20.998
flat angles P-C4'-P energy: -18.803
tors. eta vs tors. theta energy: -27.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -290.730023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.730023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.730023 (E_RNA)
where:
Base-Base interactions energy: -187.666
where: short stacking energy: -89.288
Base-Backbone interact. energy: -0.561
local terms energy: -102.503642
where:
bonds (distance) C4'-P energy: -19.792
bonds (distance) P-C4' energy: -19.543
flat angles C4'-P-C4' energy: -24.944
flat angles P-C4'-P energy: -17.135
tors. eta vs tors. theta energy: -21.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -305.835089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.835089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.835089 (E_RNA)
where:
Base-Base interactions energy: -200.467
where: short stacking energy: -92.723
Base-Backbone interact. energy: -0.093
local terms energy: -105.275297
where:
bonds (distance) C4'-P energy: -23.249
bonds (distance) P-C4' energy: -22.465
flat angles C4'-P-C4' energy: -25.785
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: -24.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -265.421906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.421906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.421906 (E_RNA)
where:
Base-Base interactions energy: -167.912
where: short stacking energy: -84.502
Base-Backbone interact. energy: -0.271
local terms energy: -97.238623
where:
bonds (distance) C4'-P energy: -18.164
bonds (distance) P-C4' energy: -23.165
flat angles C4'-P-C4' energy: -23.237
flat angles P-C4'-P energy: -12.384
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: 6, replica: 7
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -228.298451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.298451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.298451 (E_RNA)
where:
Base-Base interactions energy: -136.524
where: short stacking energy: -74.502
Base-Backbone interact. energy: 0.728
local terms energy: -92.502836
where:
bonds (distance) C4'-P energy: -21.083
bonds (distance) P-C4' energy: -23.000
flat angles C4'-P-C4' energy: -21.061
flat angles P-C4'-P energy: -13.257
tors. eta vs tors. theta energy: -14.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -252.012611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.012611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.012611 (E_RNA)
where:
Base-Base interactions energy: -161.101
where: short stacking energy: -58.396
Base-Backbone interact. energy: -0.607
local terms energy: -90.304552
where:
bonds (distance) C4'-P energy: -19.383
bonds (distance) P-C4' energy: -19.722
flat angles C4'-P-C4' energy: -24.545
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: -16.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -232.847514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.847514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.847514 (E_RNA)
where:
Base-Base interactions energy: -155.075
where: short stacking energy: -66.571
Base-Backbone interact. energy: -0.382
local terms energy: -77.390563
where:
bonds (distance) C4'-P energy: -21.660
bonds (distance) P-C4' energy: -22.812
flat angles C4'-P-C4' energy: -20.032
flat angles P-C4'-P energy: 0.445
tors. eta vs tors. theta energy: -13.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -241.096843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.096843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.096843 (E_RNA)
where:
Base-Base interactions energy: -153.459
where: short stacking energy: -69.596
Base-Backbone interact. energy: -0.432
local terms energy: -87.206698
where:
bonds (distance) C4'-P energy: -19.402
bonds (distance) P-C4' energy: -19.580
flat angles C4'-P-C4' energy: -17.432
flat angles P-C4'-P energy: -16.403
tors. eta vs tors. theta energy: -14.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -123.473150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.473150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.473150 (E_RNA)
where:
Base-Base interactions energy: -50.339
where: short stacking energy: -50.339
Base-Backbone interact. energy: 0.624
local terms energy: -73.757956
where:
bonds (distance) C4'-P energy: -18.185
bonds (distance) P-C4' energy: -19.292
flat angles C4'-P-C4' energy: -19.862
flat angles P-C4'-P energy: -4.705
tors. eta vs tors. theta energy: -11.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -370.284060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.284060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.284060 (E_RNA)
where:
Base-Base interactions energy: -251.965
where: short stacking energy: -109.186
Base-Backbone interact. energy: -0.903
local terms energy: -117.415509
where:
bonds (distance) C4'-P energy: -21.041
bonds (distance) P-C4' energy: -22.075
flat angles C4'-P-C4' energy: -24.251
flat angles P-C4'-P energy: -17.702
tors. eta vs tors. theta energy: -32.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -300.200677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.200677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.200677 (E_RNA)
where:
Base-Base interactions energy: -190.783
where: short stacking energy: -101.243
Base-Backbone interact. energy: -0.113
local terms energy: -109.304401
where:
bonds (distance) C4'-P energy: -19.075
bonds (distance) P-C4' energy: -26.131
flat angles C4'-P-C4' energy: -25.585
flat angles P-C4'-P energy: -15.100
tors. eta vs tors. theta energy: -23.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -324.124940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.124940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.124940 (E_RNA)
where:
Base-Base interactions energy: -217.272
where: short stacking energy: -104.414
Base-Backbone interact. energy: 0.716
local terms energy: -107.569791
where:
bonds (distance) C4'-P energy: -22.921
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -25.444
flat angles P-C4'-P energy: -19.584
tors. eta vs tors. theta energy: -25.665
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: 4, replica: 1
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -292.248428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.248428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.248428 (E_RNA)
where:
Base-Base interactions energy: -193.121
where: short stacking energy: -94.420
Base-Backbone interact. energy: -0.177
local terms energy: -98.950773
where:
bonds (distance) C4'-P energy: -23.723
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -24.463
flat angles P-C4'-P energy: -11.011
tors. eta vs tors. theta energy: -24.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -276.859254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.859254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.859254 (E_RNA)
where:
Base-Base interactions energy: -180.601
where: short stacking energy: -74.432
Base-Backbone interact. energy: -0.663
local terms energy: -95.594820
where:
bonds (distance) C4'-P energy: -22.153
bonds (distance) P-C4' energy: -19.333
flat angles C4'-P-C4' energy: -21.579
flat angles P-C4'-P energy: -16.808
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: 3
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -276.561596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.561596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.561596 (E_RNA)
where:
Base-Base interactions energy: -170.690
where: short stacking energy: -77.635
Base-Backbone interact. energy: -0.151
local terms energy: -105.720408
where:
bonds (distance) C4'-P energy: -22.893
bonds (distance) P-C4' energy: -25.133
flat angles C4'-P-C4' energy: -18.256
flat angles P-C4'-P energy: -16.368
tors. eta vs tors. theta energy: -23.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -249.416786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.416786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.416786 (E_RNA)
where:
Base-Base interactions energy: -163.121
where: short stacking energy: -76.048
Base-Backbone interact. energy: -0.520
local terms energy: -85.775247
where:
bonds (distance) C4'-P energy: -17.391
bonds (distance) P-C4' energy: -18.963
flat angles C4'-P-C4' energy: -22.413
flat angles P-C4'-P energy: -10.878
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: 8, replica: 2
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -223.872264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.872264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.872264 (E_RNA)
where:
Base-Base interactions energy: -134.838
where: short stacking energy: -58.644
Base-Backbone interact. energy: -0.345
local terms energy: -88.689300
where:
bonds (distance) C4'-P energy: -21.467
bonds (distance) P-C4' energy: -21.658
flat angles C4'-P-C4' energy: -25.643
flat angles P-C4'-P energy: -9.340
tors. eta vs tors. theta energy: -10.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -218.617273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.617273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.617273 (E_RNA)
where:
Base-Base interactions energy: -132.303
where: short stacking energy: -70.075
Base-Backbone interact. energy: 0.515
local terms energy: -86.829337
where:
bonds (distance) C4'-P energy: -18.669
bonds (distance) P-C4' energy: -16.694
flat angles C4'-P-C4' energy: -17.544
flat angles P-C4'-P energy: -14.470
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: 10, replica: 9
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -110.692744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.692744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.692744 (E_RNA)
where:
Base-Base interactions energy: -37.499
where: short stacking energy: -37.172
Base-Backbone interact. energy: -0.378
local terms energy: -72.816130
where:
bonds (distance) C4'-P energy: -17.959
bonds (distance) P-C4' energy: -16.862
flat angles C4'-P-C4' energy: -24.810
flat angles P-C4'-P energy: -7.945
tors. eta vs tors. theta energy: -5.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -378.459942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.459942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.459942 (E_RNA)
where:
Base-Base interactions energy: -256.902
where: short stacking energy: -112.338
Base-Backbone interact. energy: -0.008
local terms energy: -121.549093
where:
bonds (distance) C4'-P energy: -22.438
bonds (distance) P-C4' energy: -26.294
flat angles C4'-P-C4' energy: -24.780
flat angles P-C4'-P energy: -16.453
tors. eta vs tors. theta energy: -31.585
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: 6
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -300.544608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.544608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.544608 (E_RNA)
where:
Base-Base interactions energy: -194.354
where: short stacking energy: -86.537
Base-Backbone interact. energy: -0.497
local terms energy: -105.693596
where:
bonds (distance) C4'-P energy: -22.669
bonds (distance) P-C4' energy: -19.700
flat angles C4'-P-C4' energy: -23.345
flat angles P-C4'-P energy: -15.195
tors. eta vs tors. theta energy: -24.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -332.544522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.544522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.544522 (E_RNA)
where:
Base-Base interactions energy: -225.417
where: short stacking energy: -105.170
Base-Backbone interact. energy: -0.232
local terms energy: -106.895084
where:
bonds (distance) C4'-P energy: -21.759
bonds (distance) P-C4' energy: -13.917
flat angles C4'-P-C4' energy: -22.180
flat angles P-C4'-P energy: -19.401
tors. eta vs tors. theta energy: -29.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -301.114025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.114025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.114025 (E_RNA)
where:
Base-Base interactions energy: -188.828
where: short stacking energy: -100.147
Base-Backbone interact. energy: -1.766
local terms energy: -110.520032
where:
bonds (distance) C4'-P energy: -17.359
bonds (distance) P-C4' energy: -24.818
flat angles C4'-P-C4' energy: -23.518
flat angles P-C4'-P energy: -19.349
tors. eta vs tors. theta energy: -25.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -274.482586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.482586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.482586 (E_RNA)
where:
Base-Base interactions energy: -170.322
where: short stacking energy: -77.853
Base-Backbone interact. energy: 0.788
local terms energy: -104.948634
where:
bonds (distance) C4'-P energy: -18.372
bonds (distance) P-C4' energy: -21.189
flat angles C4'-P-C4' energy: -24.874
flat angles P-C4'-P energy: -20.391
tors. eta vs tors. theta energy: -20.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -258.244088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.244088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.244088 (E_RNA)
where:
Base-Base interactions energy: -168.435
where: short stacking energy: -78.949
Base-Backbone interact. energy: -0.066
local terms energy: -89.742538
where:
bonds (distance) C4'-P energy: -17.652
bonds (distance) P-C4' energy: -17.248
flat angles C4'-P-C4' energy: -19.404
flat angles P-C4'-P energy: -10.156
tors. eta vs tors. theta energy: -25.282
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: 2
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -241.363978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.363978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.363978 (E_RNA)
where:
Base-Base interactions energy: -149.445
where: short stacking energy: -71.912
Base-Backbone interact. energy: 0.427
local terms energy: -92.345982
where:
bonds (distance) C4'-P energy: -22.000
bonds (distance) P-C4' energy: -21.630
flat angles C4'-P-C4' energy: -16.370
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -21.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -255.493033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.493033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.493033 (E_RNA)
where:
Base-Base interactions energy: -167.696
where: short stacking energy: -72.117
Base-Backbone interact. energy: -0.187
local terms energy: -87.609333
where:
bonds (distance) C4'-P energy: -19.525
bonds (distance) P-C4' energy: -18.754
flat angles C4'-P-C4' energy: -18.546
flat angles P-C4'-P energy: -14.826
tors. eta vs tors. theta energy: -15.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -222.301539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.301539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.301539 (E_RNA)
where:
Base-Base interactions energy: -132.604
where: short stacking energy: -57.131
Base-Backbone interact. energy: -0.285
local terms energy: -89.413143
where:
bonds (distance) C4'-P energy: -27.720
bonds (distance) P-C4' energy: -19.871
flat angles C4'-P-C4' energy: -25.384
flat angles P-C4'-P energy: -6.503
tors. eta vs tors. theta energy: -9.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -121.701257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.701257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.701257 (E_RNA)
where:
Base-Base interactions energy: -40.774
where: short stacking energy: -30.245
Base-Backbone interact. energy: -0.267
local terms energy: -80.660473
where:
bonds (distance) C4'-P energy: -21.325
bonds (distance) P-C4' energy: -19.684
flat angles C4'-P-C4' energy: -24.149
flat angles P-C4'-P energy: -17.171
tors. eta vs tors. theta energy: 1.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -373.118139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.118139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.118139 (E_RNA)
where:
Base-Base interactions energy: -254.793
where: short stacking energy: -109.314
Base-Backbone interact. energy: -0.314
local terms energy: -118.011599
where:
bonds (distance) C4'-P energy: -21.666
bonds (distance) P-C4' energy: -18.085
flat angles C4'-P-C4' energy: -24.128
flat angles P-C4'-P energy: -20.564
tors. eta vs tors. theta energy: -33.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -319.013456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.013456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.013456 (E_RNA)
where:
Base-Base interactions energy: -217.777
where: short stacking energy: -82.721
Base-Backbone interact. energy: 0.217
local terms energy: -101.452890
where:
bonds (distance) C4'-P energy: -21.191
bonds (distance) P-C4' energy: -23.076
flat angles C4'-P-C4' energy: -19.024
flat angles P-C4'-P energy: -17.093
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: 191
Temperature: 1.000000
Total energy: -297.975875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.975875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.975875 (E_RNA)
where:
Base-Base interactions energy: -193.644
where: short stacking energy: -89.642
Base-Backbone interact. energy: -0.812
local terms energy: -103.520348
where:
bonds (distance) C4'-P energy: -12.654
bonds (distance) P-C4' energy: -19.850
flat angles C4'-P-C4' energy: -24.818
flat angles P-C4'-P energy: -21.595
tors. eta vs tors. theta energy: -24.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -299.411410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.411410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.411410 (E_RNA)
where:
Base-Base interactions energy: -191.449
where: short stacking energy: -99.745
Base-Backbone interact. energy: -0.063
local terms energy: -107.899717
where:
bonds (distance) C4'-P energy: -21.390
bonds (distance) P-C4' energy: -23.038
flat angles C4'-P-C4' energy: -25.105
flat angles P-C4'-P energy: -14.692
tors. eta vs tors. theta energy: -23.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -268.984018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.984018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.984018 (E_RNA)
where:
Base-Base interactions energy: -172.997
where: short stacking energy: -72.492
Base-Backbone interact. energy: -0.250
local terms energy: -95.737169
where:
bonds (distance) C4'-P energy: -25.133
bonds (distance) P-C4' energy: -22.913
flat angles C4'-P-C4' energy: -22.157
flat angles P-C4'-P energy: -13.360
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: 2
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -262.977923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.977923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.977923 (E_RNA)
where:
Base-Base interactions energy: -165.522
where: short stacking energy: -75.444
Base-Backbone interact. energy: 0.723
local terms energy: -98.179491
where:
bonds (distance) C4'-P energy: -21.336
bonds (distance) P-C4' energy: -24.787
flat angles C4'-P-C4' energy: -22.971
flat angles P-C4'-P energy: -13.938
tors. eta vs tors. theta energy: -15.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -246.352500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.352500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.352500 (E_RNA)
where:
Base-Base interactions energy: -152.543
where: short stacking energy: -65.999
Base-Backbone interact. energy: -0.793
local terms energy: -93.016489
where:
bonds (distance) C4'-P energy: -22.078
bonds (distance) P-C4' energy: -19.699
flat angles C4'-P-C4' energy: -23.798
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -16.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -208.168114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.168114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.168114 (E_RNA)
where:
Base-Base interactions energy: -133.993
where: short stacking energy: -60.747
Base-Backbone interact. energy: 1.911
local terms energy: -76.086191
where:
bonds (distance) C4'-P energy: -16.319
bonds (distance) P-C4' energy: -25.415
flat angles C4'-P-C4' energy: -15.910
flat angles P-C4'-P energy: -11.445
tors. eta vs tors. theta energy: -6.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -234.912586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.912586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.912586 (E_RNA)
where:
Base-Base interactions energy: -148.660
where: short stacking energy: -72.644
Base-Backbone interact. energy: -0.137
local terms energy: -86.115371
where:
bonds (distance) C4'-P energy: -18.025
bonds (distance) P-C4' energy: -21.827
flat angles C4'-P-C4' energy: -18.401
flat angles P-C4'-P energy: -8.896
tors. eta vs tors. theta energy: -18.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -129.605509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.605509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.605509 (E_RNA)
where:
Base-Base interactions energy: -67.711
where: short stacking energy: -52.472
Base-Backbone interact. energy: 1.494
local terms energy: -63.388369
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -14.652
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -9.762
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: 1, replica: 5
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -376.145758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.145758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.145758 (E_RNA)
where:
Base-Base interactions energy: -259.855
where: short stacking energy: -116.123
Base-Backbone interact. energy: -0.048
local terms energy: -116.243667
where:
bonds (distance) C4'-P energy: -17.829
bonds (distance) P-C4' energy: -22.004
flat angles C4'-P-C4' energy: -24.835
flat angles P-C4'-P energy: -16.180
tors. eta vs tors. theta energy: -35.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -330.650246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.650246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.650246 (E_RNA)
where:
Base-Base interactions energy: -220.954
where: short stacking energy: -92.995
Base-Backbone interact. energy: -0.057
local terms energy: -109.639458
where:
bonds (distance) C4'-P energy: -23.996
bonds (distance) P-C4' energy: -26.083
flat angles C4'-P-C4' energy: -19.362
flat angles P-C4'-P energy: -15.948
tors. eta vs tors. theta energy: -24.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -292.539564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.539564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.539564 (E_RNA)
where:
Base-Base interactions energy: -185.286
where: short stacking energy: -87.548
Base-Backbone interact. energy: 0.529
local terms energy: -107.782440
where:
bonds (distance) C4'-P energy: -22.511
bonds (distance) P-C4' energy: -20.591
flat angles C4'-P-C4' energy: -22.280
flat angles P-C4'-P energy: -18.134
tors. eta vs tors. theta energy: -24.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -316.069994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.069994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.069994 (E_RNA)
where:
Base-Base interactions energy: -205.313
where: short stacking energy: -94.199
Base-Backbone interact. energy: -0.112
local terms energy: -110.644829
where:
bonds (distance) C4'-P energy: -21.141
bonds (distance) P-C4' energy: -21.257
flat angles C4'-P-C4' energy: -22.825
flat angles P-C4'-P energy: -16.870
tors. eta vs tors. theta energy: -28.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -286.903277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.903277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.903277 (E_RNA)
where:
Base-Base interactions energy: -199.657
where: short stacking energy: -69.737
Base-Backbone interact. energy: 0.863
local terms energy: -88.109538
where:
bonds (distance) C4'-P energy: -15.534
bonds (distance) P-C4' energy: -22.476
flat angles C4'-P-C4' energy: -19.720
flat angles P-C4'-P energy: -14.652
tors. eta vs tors. theta energy: -15.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -263.407897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.407897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.407897 (E_RNA)
where:
Base-Base interactions energy: -169.459
where: short stacking energy: -77.738
Base-Backbone interact. energy: -0.163
local terms energy: -93.786229
where:
bonds (distance) C4'-P energy: -18.531
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -25.412
flat angles P-C4'-P energy: -17.001
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: 7, replica: 10
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -231.391242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.391242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.391242 (E_RNA)
where:
Base-Base interactions energy: -141.726
where: short stacking energy: -81.290
Base-Backbone interact. energy: -0.132
local terms energy: -89.532884
where:
bonds (distance) C4'-P energy: -15.570
bonds (distance) P-C4' energy: -22.213
flat angles C4'-P-C4' energy: -19.233
flat angles P-C4'-P energy: -15.474
tors. eta vs tors. theta energy: -17.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -247.001878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.001878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.001878 (E_RNA)
where:
Base-Base interactions energy: -156.598
where: short stacking energy: -78.350
Base-Backbone interact. energy: -0.280
local terms energy: -90.124168
where:
bonds (distance) C4'-P energy: -20.533
bonds (distance) P-C4' energy: -21.879
flat angles C4'-P-C4' energy: -25.698
flat angles P-C4'-P energy: -5.782
tors. eta vs tors. theta energy: -16.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -108.682143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.682143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.682143 (E_RNA)
where:
Base-Base interactions energy: -44.087
where: short stacking energy: -42.573
Base-Backbone interact. energy: -1.307
local terms energy: -63.287675
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -19.056
flat angles C4'-P-C4' energy: -11.849
flat angles P-C4'-P energy: -14.522
tors. eta vs tors. theta energy: -1.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -234.997267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.997267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.997267 (E_RNA)
where:
Base-Base interactions energy: -145.131
where: short stacking energy: -67.246
Base-Backbone interact. energy: 0.598
local terms energy: -90.463772
where:
bonds (distance) C4'-P energy: -23.845
bonds (distance) P-C4' energy: -21.246
flat angles C4'-P-C4' energy: -17.765
flat angles P-C4'-P energy: -16.992
tors. eta vs tors. theta energy: -10.615
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: 1, replica: 5
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -374.140496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.140496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.140496 (E_RNA)
where:
Base-Base interactions energy: -255.557
where: short stacking energy: -115.276
Base-Backbone interact. energy: -0.170
local terms energy: -118.414269
where:
bonds (distance) C4'-P energy: -22.959
bonds (distance) P-C4' energy: -25.095
flat angles C4'-P-C4' energy: -22.406
flat angles P-C4'-P energy: -12.810
tors. eta vs tors. theta energy: -35.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -348.644667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.644667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.644667 (E_RNA)
where:
Base-Base interactions energy: -245.133
where: short stacking energy: -83.356
Base-Backbone interact. energy: -1.766
local terms energy: -101.745315
where:
bonds (distance) C4'-P energy: -17.456
bonds (distance) P-C4' energy: -20.504
flat angles C4'-P-C4' energy: -26.337
flat angles P-C4'-P energy: -15.419
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: 3, replica: 3
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -287.833629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.833629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.833629 (E_RNA)
where:
Base-Base interactions energy: -181.835
where: short stacking energy: -93.607
Base-Backbone interact. energy: -0.292
local terms energy: -105.706652
where:
bonds (distance) C4'-P energy: -19.114
bonds (distance) P-C4' energy: -22.220
flat angles C4'-P-C4' energy: -25.200
flat angles P-C4'-P energy: -16.310
tors. eta vs tors. theta energy: -22.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -296.596214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.596214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.596214 (E_RNA)
where:
Base-Base interactions energy: -195.574
where: short stacking energy: -85.451
Base-Backbone interact. energy: -0.147
local terms energy: -100.874738
where:
bonds (distance) C4'-P energy: -23.051
bonds (distance) P-C4' energy: -21.202
flat angles C4'-P-C4' energy: -23.148
flat angles P-C4'-P energy: -14.461
tors. eta vs tors. theta energy: -19.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -275.785682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.785682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.785682 (E_RNA)
where:
Base-Base interactions energy: -180.681
where: short stacking energy: -90.290
Base-Backbone interact. energy: -0.176
local terms energy: -94.928223
where:
bonds (distance) C4'-P energy: -21.449
bonds (distance) P-C4' energy: -24.478
flat angles C4'-P-C4' energy: -18.893
flat angles P-C4'-P energy: -6.694
tors. eta vs tors. theta energy: -23.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -249.404530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.404530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.404530 (E_RNA)
where:
Base-Base interactions energy: -165.692
where: short stacking energy: -75.382
Base-Backbone interact. energy: -0.292
local terms energy: -83.421027
where:
bonds (distance) C4'-P energy: -17.786
bonds (distance) P-C4' energy: -22.987
flat angles C4'-P-C4' energy: -16.951
flat angles P-C4'-P energy: -8.552
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: 7, replica: 1
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -249.290023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.290023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.290023 (E_RNA)
where:
Base-Base interactions energy: -154.704
where: short stacking energy: -62.917
Base-Backbone interact. energy: -0.818
local terms energy: -93.768237
where:
bonds (distance) C4'-P energy: -19.078
bonds (distance) P-C4' energy: -21.843
flat angles C4'-P-C4' energy: -23.488
flat angles P-C4'-P energy: -13.618
tors. eta vs tors. theta energy: -15.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -252.323959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.323959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.323959 (E_RNA)
where:
Base-Base interactions energy: -147.235
where: short stacking energy: -77.934
Base-Backbone interact. energy: 0.367
local terms energy: -105.456320
where:
bonds (distance) C4'-P energy: -17.819
bonds (distance) P-C4' energy: -23.557
flat angles C4'-P-C4' energy: -19.209
flat angles P-C4'-P energy: -19.472
tors. eta vs tors. theta energy: -25.399
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: 9
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -191.806445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.806445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.806445 (E_RNA)
where:
Base-Base interactions energy: -118.407
where: short stacking energy: -48.391
Base-Backbone interact. energy: -0.968
local terms energy: -72.430770
where:
bonds (distance) C4'-P energy: -12.986
bonds (distance) P-C4' energy: -20.435
flat angles C4'-P-C4' energy: -19.214
flat angles P-C4'-P energy: -16.019
tors. eta vs tors. theta energy: -3.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -191.951474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.951474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.951474 (E_RNA)
where:
Base-Base interactions energy: -117.694
where: short stacking energy: -60.424
Base-Backbone interact. energy: -0.037
local terms energy: -74.220943
where:
bonds (distance) C4'-P energy: -13.446
bonds (distance) P-C4' energy: -24.651
flat angles C4'-P-C4' energy: -17.144
flat angles P-C4'-P energy: -8.993
tors. eta vs tors. theta energy: -9.986
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: 5
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -374.413228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.413228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.413228 (E_RNA)
where:
Base-Base interactions energy: -253.754
where: short stacking energy: -110.707
Base-Backbone interact. energy: -0.089
local terms energy: -120.570328
where:
bonds (distance) C4'-P energy: -22.918
bonds (distance) P-C4' energy: -23.757
flat angles C4'-P-C4' energy: -20.601
flat angles P-C4'-P energy: -19.204
tors. eta vs tors. theta energy: -34.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -344.520696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.520696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.520696 (E_RNA)
where:
Base-Base interactions energy: -240.944
where: short stacking energy: -90.706
Base-Backbone interact. energy: -0.540
local terms energy: -103.036355
where:
bonds (distance) C4'-P energy: -19.999
bonds (distance) P-C4' energy: -24.404
flat angles C4'-P-C4' energy: -18.768
flat angles P-C4'-P energy: -14.551
tors. eta vs tors. theta energy: -25.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -297.924341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.924341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.924341 (E_RNA)
where:
Base-Base interactions energy: -181.575
where: short stacking energy: -92.391
Base-Backbone interact. energy: -0.827
local terms energy: -115.522334
where:
bonds (distance) C4'-P energy: -21.137
bonds (distance) P-C4' energy: -20.369
flat angles C4'-P-C4' energy: -25.740
flat angles P-C4'-P energy: -20.314
tors. eta vs tors. theta energy: -27.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -298.498222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.498222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.498222 (E_RNA)
where:
Base-Base interactions energy: -203.606
where: short stacking energy: -84.414
Base-Backbone interact. energy: -0.443
local terms energy: -94.448515
where:
bonds (distance) C4'-P energy: -24.396
bonds (distance) P-C4' energy: -21.010
flat angles C4'-P-C4' energy: -23.810
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -15.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -282.885126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.885126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.885126 (E_RNA)
where:
Base-Base interactions energy: -180.367
where: short stacking energy: -76.380
Base-Backbone interact. energy: -0.516
local terms energy: -102.001882
where:
bonds (distance) C4'-P energy: -24.093
bonds (distance) P-C4' energy: -23.129
flat angles C4'-P-C4' energy: -20.953
flat angles P-C4'-P energy: -14.992
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: 6, replica: 2
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -254.301430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.301430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.301430 (E_RNA)
where:
Base-Base interactions energy: -163.169
where: short stacking energy: -79.259
Base-Backbone interact. energy: -0.403
local terms energy: -90.729896
where:
bonds (distance) C4'-P energy: -15.414
bonds (distance) P-C4' energy: -22.080
flat angles C4'-P-C4' energy: -21.039
flat angles P-C4'-P energy: -15.652
tors. eta vs tors. theta energy: -16.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -262.409112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.409112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.409112 (E_RNA)
where:
Base-Base interactions energy: -174.364
where: short stacking energy: -71.303
Base-Backbone interact. energy: -0.532
local terms energy: -87.512976
where:
bonds (distance) C4'-P energy: -17.958
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -13.922
tors. eta vs tors. theta energy: -23.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -239.099842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.099842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.099842 (E_RNA)
where:
Base-Base interactions energy: -153.071
where: short stacking energy: -63.905
Base-Backbone interact. energy: -0.336
local terms energy: -85.692320
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -20.856
flat angles C4'-P-C4' energy: -20.489
flat angles P-C4'-P energy: -11.872
tors. eta vs tors. theta energy: -18.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -260.350863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.350863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.350863 (E_RNA)
where:
Base-Base interactions energy: -168.862
where: short stacking energy: -83.407
Base-Backbone interact. energy: 0.830
local terms energy: -92.318694
where:
bonds (distance) C4'-P energy: -23.266
bonds (distance) P-C4' energy: -17.443
flat angles C4'-P-C4' energy: -25.781
flat angles P-C4'-P energy: -10.996
tors. eta vs tors. theta energy: -14.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -195.507321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.507321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.507321 (E_RNA)
where:
Base-Base interactions energy: -125.205
where: short stacking energy: -46.365
Base-Backbone interact. energy: -0.016
local terms energy: -70.285651
where:
bonds (distance) C4'-P energy: -21.663
bonds (distance) P-C4' energy: -22.538
flat angles C4'-P-C4' energy: -11.139
flat angles P-C4'-P energy: -9.998
tors. eta vs tors. theta energy: -4.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -371.732140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.732140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.732140 (E_RNA)
where:
Base-Base interactions energy: -256.534
where: short stacking energy: -114.633
Base-Backbone interact. energy: -0.045
local terms energy: -115.152786
where:
bonds (distance) C4'-P energy: -20.848
bonds (distance) P-C4' energy: -25.127
flat angles C4'-P-C4' energy: -19.925
flat angles P-C4'-P energy: -17.590
tors. eta vs tors. theta energy: -31.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -308.200327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.200327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.200327 (E_RNA)
where:
Base-Base interactions energy: -195.044
where: short stacking energy: -105.653
Base-Backbone interact. energy: -0.063
local terms energy: -113.093551
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -22.244
flat angles C4'-P-C4' energy: -25.909
flat angles P-C4'-P energy: -18.152
tors. eta vs tors. theta energy: -29.960
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: 3, replica: 4
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -325.908117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.908117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.908117 (E_RNA)
where:
Base-Base interactions energy: -220.025
where: short stacking energy: -93.149
Base-Backbone interact. energy: -0.887
local terms energy: -104.996069
where:
bonds (distance) C4'-P energy: -21.807
bonds (distance) P-C4' energy: -20.030
flat angles C4'-P-C4' energy: -25.413
flat angles P-C4'-P energy: -10.914
tors. eta vs tors. theta energy: -26.832
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: 3
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -280.161280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.161280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.161280 (E_RNA)
where:
Base-Base interactions energy: -182.856
where: short stacking energy: -80.272
Base-Backbone interact. energy: -0.054
local terms energy: -97.251497
where:
bonds (distance) C4'-P energy: -22.033
bonds (distance) P-C4' energy: -24.042
flat angles C4'-P-C4' energy: -17.819
flat angles P-C4'-P energy: -14.700
tors. eta vs tors. theta energy: -18.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -275.979957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.979957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.979957 (E_RNA)
where:
Base-Base interactions energy: -172.491
where: short stacking energy: -82.510
Base-Backbone interact. energy: -0.293
local terms energy: -103.196111
where:
bonds (distance) C4'-P energy: -21.999
bonds (distance) P-C4' energy: -20.148
flat angles C4'-P-C4' energy: -26.481
flat angles P-C4'-P energy: -14.409
tors. eta vs tors. theta energy: -20.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -239.806207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.806207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.806207 (E_RNA)
where:
Base-Base interactions energy: -146.404
where: short stacking energy: -75.984
Base-Backbone interact. energy: 0.781
local terms energy: -94.183646
where:
bonds (distance) C4'-P energy: -17.742
bonds (distance) P-C4' energy: -26.983
flat angles C4'-P-C4' energy: -20.332
flat angles P-C4'-P energy: -12.380
tors. eta vs tors. theta energy: -16.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -217.637853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.637853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.637853 (E_RNA)
where:
Base-Base interactions energy: -128.761
where: short stacking energy: -69.711
Base-Backbone interact. energy: -0.068
local terms energy: -88.808937
where:
bonds (distance) C4'-P energy: -20.084
bonds (distance) P-C4' energy: -18.034
flat angles C4'-P-C4' energy: -19.100
flat angles P-C4'-P energy: -14.315
tors. eta vs tors. theta energy: -17.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -204.104757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.104757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.104757 (E_RNA)
where:
Base-Base interactions energy: -118.858
where: short stacking energy: -60.260
Base-Backbone interact. energy: -0.329
local terms energy: -84.917631
where:
bonds (distance) C4'-P energy: -19.495
bonds (distance) P-C4' energy: -17.585
flat angles C4'-P-C4' energy: -17.756
flat angles P-C4'-P energy: -12.657
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: 9, replica: 1
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -243.754296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.754296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.754296 (E_RNA)
where:
Base-Base interactions energy: -159.367
where: short stacking energy: -81.183
Base-Backbone interact. energy: -0.221
local terms energy: -84.166070
where:
bonds (distance) C4'-P energy: -18.032
bonds (distance) P-C4' energy: -21.377
flat angles C4'-P-C4' energy: -11.005
flat angles P-C4'-P energy: -17.029
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: 10, replica: 9
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -212.103506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.103506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.103506 (E_RNA)
where:
Base-Base interactions energy: -134.191
where: short stacking energy: -54.177
Base-Backbone interact. energy: 0.583
local terms energy: -78.495723
where:
bonds (distance) C4'-P energy: -19.261
bonds (distance) P-C4' energy: -18.764
flat angles C4'-P-C4' energy: -16.582
flat angles P-C4'-P energy: -13.429
tors. eta vs tors. theta energy: -10.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -369.047699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.047699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.047699 (E_RNA)
where:
Base-Base interactions energy: -251.061
where: short stacking energy: -118.281
Base-Backbone interact. energy: -0.004
local terms energy: -117.983202
where:
bonds (distance) C4'-P energy: -20.508
bonds (distance) P-C4' energy: -20.466
flat angles C4'-P-C4' energy: -26.613
flat angles P-C4'-P energy: -15.911
tors. eta vs tors. theta energy: -34.485
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: 6
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -310.709079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.709079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.709079 (E_RNA)
where:
Base-Base interactions energy: -203.628
where: short stacking energy: -101.701
Base-Backbone interact. energy: -0.695
local terms energy: -106.386625
where:
bonds (distance) C4'-P energy: -19.813
bonds (distance) P-C4' energy: -22.449
flat angles C4'-P-C4' energy: -22.804
flat angles P-C4'-P energy: -14.084
tors. eta vs tors. theta energy: -27.237
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: 4
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -318.398659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.398659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.398659 (E_RNA)
where:
Base-Base interactions energy: -216.702
where: short stacking energy: -88.711
Base-Backbone interact. energy: 0.452
local terms energy: -102.149307
where:
bonds (distance) C4'-P energy: -21.466
bonds (distance) P-C4' energy: -22.779
flat angles C4'-P-C4' energy: -22.190
flat angles P-C4'-P energy: -13.443
tors. eta vs tors. theta energy: -22.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -281.085897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.085897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.085897 (E_RNA)
where:
Base-Base interactions energy: -173.941
where: short stacking energy: -91.873
Base-Backbone interact. energy: -0.010
local terms energy: -107.135392
where:
bonds (distance) C4'-P energy: -26.130
bonds (distance) P-C4' energy: -25.501
flat angles C4'-P-C4' energy: -17.255
flat angles P-C4'-P energy: -13.568
tors. eta vs tors. theta energy: -24.681
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: 2
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -264.251379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.251379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.251379 (E_RNA)
where:
Base-Base interactions energy: -175.818
where: short stacking energy: -75.365
Base-Backbone interact. energy: -0.551
local terms energy: -87.881973
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -21.596
flat angles C4'-P-C4' energy: -23.591
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: -18.024
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: 10
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -255.715901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.715901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.715901 (E_RNA)
where:
Base-Base interactions energy: -164.451
where: short stacking energy: -75.851
Base-Backbone interact. energy: -0.232
local terms energy: -91.033063
where:
bonds (distance) C4'-P energy: -18.118
bonds (distance) P-C4' energy: -21.918
flat angles C4'-P-C4' energy: -24.164
flat angles P-C4'-P energy: -8.315
tors. eta vs tors. theta energy: -18.518
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: 7
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -210.339789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.339789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.339789 (E_RNA)
where:
Base-Base interactions energy: -125.947
where: short stacking energy: -57.746
Base-Backbone interact. energy: -0.126
local terms energy: -84.266803
where:
bonds (distance) C4'-P energy: -19.553
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -21.835
flat angles P-C4'-P energy: -15.361
tors. eta vs tors. theta energy: -11.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -218.167370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.167370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.167370 (E_RNA)
where:
Base-Base interactions energy: -142.878
where: short stacking energy: -67.376
Base-Backbone interact. energy: 0.254
local terms energy: -75.543579
where:
bonds (distance) C4'-P energy: -16.423
bonds (distance) P-C4' energy: -19.629
flat angles C4'-P-C4' energy: -20.812
flat angles P-C4'-P energy: -3.903
tors. eta vs tors. theta energy: -14.777
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: 9, replica: 1
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -249.438483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.438483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.438483 (E_RNA)
where:
Base-Base interactions energy: -161.458
where: short stacking energy: -81.888
Base-Backbone interact. energy: -0.725
local terms energy: -87.255075
where:
bonds (distance) C4'-P energy: -18.570
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -20.945
flat angles P-C4'-P energy: -16.425
tors. eta vs tors. theta energy: -15.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -194.699065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.699065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.699065 (E_RNA)
where:
Base-Base interactions energy: -117.349
where: short stacking energy: -54.087
Base-Backbone interact. energy: -0.121
local terms energy: -77.228633
where:
bonds (distance) C4'-P energy: -19.117
bonds (distance) P-C4' energy: -13.843
flat angles C4'-P-C4' energy: -19.863
flat angles P-C4'-P energy: -10.987
tors. eta vs tors. theta energy: -13.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -375.468894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.468894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.468894 (E_RNA)
where:
Base-Base interactions energy: -259.390
where: short stacking energy: -110.114
Base-Backbone interact. energy: -0.182
local terms energy: -115.896917
where:
bonds (distance) C4'-P energy: -17.532
bonds (distance) P-C4' energy: -23.149
flat angles C4'-P-C4' energy: -26.358
flat angles P-C4'-P energy: -15.705
tors. eta vs tors. theta energy: -33.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -345.722342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.722342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.722342 (E_RNA)
where:
Base-Base interactions energy: -233.365
where: short stacking energy: -90.840
Base-Backbone interact. energy: -0.352
local terms energy: -112.005005
where:
bonds (distance) C4'-P energy: -21.027
bonds (distance) P-C4' energy: -23.330
flat angles C4'-P-C4' energy: -23.419
flat angles P-C4'-P energy: -20.315
tors. eta vs tors. theta energy: -23.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -286.276882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.276882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.276882 (E_RNA)
where:
Base-Base interactions energy: -185.385
where: short stacking energy: -78.182
Base-Backbone interact. energy: -0.308
local terms energy: -100.583042
where:
bonds (distance) C4'-P energy: -16.910
bonds (distance) P-C4' energy: -24.580
flat angles C4'-P-C4' energy: -26.194
flat angles P-C4'-P energy: -16.597
tors. eta vs tors. theta energy: -16.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -294.576131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.576131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.576131 (E_RNA)
where:
Base-Base interactions energy: -197.116
where: short stacking energy: -97.862
Base-Backbone interact. energy: -0.418
local terms energy: -97.041846
where:
bonds (distance) C4'-P energy: -14.130
bonds (distance) P-C4' energy: -20.462
flat angles C4'-P-C4' energy: -19.848
flat angles P-C4'-P energy: -16.366
tors. eta vs tors. theta energy: -26.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -265.367841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.367841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.367841 (E_RNA)
where:
Base-Base interactions energy: -169.017
where: short stacking energy: -72.105
Base-Backbone interact. energy: -0.069
local terms energy: -96.281323
where:
bonds (distance) C4'-P energy: -19.548
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -24.070
flat angles P-C4'-P energy: -14.624
tors. eta vs tors. theta energy: -20.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -281.803340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.803340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.803340 (E_RNA)
where:
Base-Base interactions energy: -184.041
where: short stacking energy: -90.656
Base-Backbone interact. energy: -0.404
local terms energy: -97.358439
where:
bonds (distance) C4'-P energy: -26.181
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -22.450
flat angles P-C4'-P energy: -10.381
tors. eta vs tors. theta energy: -23.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -254.031090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.031090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.031090 (E_RNA)
where:
Base-Base interactions energy: -164.495
where: short stacking energy: -77.278
Base-Backbone interact. energy: -0.334
local terms energy: -89.202551
where:
bonds (distance) C4'-P energy: -20.491
bonds (distance) P-C4' energy: -24.444
flat angles C4'-P-C4' energy: -20.971
flat angles P-C4'-P energy: -2.838
tors. eta vs tors. theta energy: -20.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -246.560482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.560482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.560482 (E_RNA)
where:
Base-Base interactions energy: -165.574
where: short stacking energy: -84.392
Base-Backbone interact. energy: -0.237
local terms energy: -80.749525
where:
bonds (distance) C4'-P energy: -10.656
bonds (distance) P-C4' energy: -22.705
flat angles C4'-P-C4' energy: -18.496
flat angles P-C4'-P energy: -8.657
tors. eta vs tors. theta energy: -20.235
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: 8
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -201.714741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.714741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.714741 (E_RNA)
where:
Base-Base interactions energy: -122.610
where: short stacking energy: -54.945
Base-Backbone interact. energy: -0.765
local terms energy: -78.339924
where:
bonds (distance) C4'-P energy: -17.909
bonds (distance) P-C4' energy: -19.228
flat angles C4'-P-C4' energy: -18.103
flat angles P-C4'-P energy: -13.155
tors. eta vs tors. theta energy: -9.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -209.479477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.479477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.479477 (E_RNA)
where:
Base-Base interactions energy: -130.241
where: short stacking energy: -55.193
Base-Backbone interact. energy: -0.427
local terms energy: -78.811636
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -18.947
flat angles C4'-P-C4' energy: -21.425
flat angles P-C4'-P energy: -11.762
tors. eta vs tors. theta energy: -10.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -371.652630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.652630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.652630 (E_RNA)
where:
Base-Base interactions energy: -256.009
where: short stacking energy: -108.633
Base-Backbone interact. energy: -0.024
local terms energy: -115.619950
where:
bonds (distance) C4'-P energy: -18.186
bonds (distance) P-C4' energy: -23.295
flat angles C4'-P-C4' energy: -21.974
flat angles P-C4'-P energy: -17.512
tors. eta vs tors. theta energy: -34.653
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: 4
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -350.241458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.241458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.241458 (E_RNA)
where:
Base-Base interactions energy: -239.389
where: short stacking energy: -86.062
Base-Backbone interact. energy: -0.675
local terms energy: -110.177072
where:
bonds (distance) C4'-P energy: -24.049
bonds (distance) P-C4' energy: -25.142
flat angles C4'-P-C4' energy: -24.055
flat angles P-C4'-P energy: -14.200
tors. eta vs tors. theta energy: -22.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -301.729791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.729791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.729791 (E_RNA)
where:
Base-Base interactions energy: -191.217
where: short stacking energy: -96.807
Base-Backbone interact. energy: -0.557
local terms energy: -109.956006
where:
bonds (distance) C4'-P energy: -24.826
bonds (distance) P-C4' energy: -22.532
flat angles C4'-P-C4' energy: -23.901
flat angles P-C4'-P energy: -13.732
tors. eta vs tors. theta energy: -24.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -287.887527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.887527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.887527 (E_RNA)
where:
Base-Base interactions energy: -179.983
where: short stacking energy: -91.986
Base-Backbone interact. energy: -0.186
local terms energy: -107.718433
where:
bonds (distance) C4'-P energy: -21.997
bonds (distance) P-C4' energy: -19.396
flat angles C4'-P-C4' energy: -23.945
flat angles P-C4'-P energy: -18.437
tors. eta vs tors. theta energy: -23.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -292.164002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.164002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.164002 (E_RNA)
where:
Base-Base interactions energy: -186.743
where: short stacking energy: -88.558
Base-Backbone interact. energy: 0.018
local terms energy: -105.438621
where:
bonds (distance) C4'-P energy: -15.926
bonds (distance) P-C4' energy: -25.477
flat angles C4'-P-C4' energy: -26.163
flat angles P-C4'-P energy: -14.157
tors. eta vs tors. theta energy: -23.715
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: 10
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -253.600386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.600386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.600386 (E_RNA)
where:
Base-Base interactions energy: -161.621
where: short stacking energy: -76.184
Base-Backbone interact. energy: -0.077
local terms energy: -91.902576
where:
bonds (distance) C4'-P energy: -24.776
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -16.923
flat angles P-C4'-P energy: -16.851
tors. eta vs tors. theta energy: -17.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -244.761966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.761966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.761966 (E_RNA)
where:
Base-Base interactions energy: -154.313
where: short stacking energy: -76.137
Base-Backbone interact. energy: -0.041
local terms energy: -90.407179
where:
bonds (distance) C4'-P energy: -17.634
bonds (distance) P-C4' energy: -21.527
flat angles C4'-P-C4' energy: -19.050
flat angles P-C4'-P energy: -12.804
tors. eta vs tors. theta energy: -19.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -243.463441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.463441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.463441 (E_RNA)
where:
Base-Base interactions energy: -150.788
where: short stacking energy: -57.353
Base-Backbone interact. energy: -1.026
local terms energy: -91.649378
where:
bonds (distance) C4'-P energy: -23.092
bonds (distance) P-C4' energy: -20.581
flat angles C4'-P-C4' energy: -20.039
flat angles P-C4'-P energy: -13.685
tors. eta vs tors. theta energy: -14.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -242.006681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.006681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.006681 (E_RNA)
where:
Base-Base interactions energy: -156.376
where: short stacking energy: -58.987
Base-Backbone interact. energy: -0.165
local terms energy: -85.466025
where:
bonds (distance) C4'-P energy: -20.897
bonds (distance) P-C4' energy: -21.974
flat angles C4'-P-C4' energy: -17.783
flat angles P-C4'-P energy: -14.247
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: 10, replica: 8
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -181.754810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.754810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.754810 (E_RNA)
where:
Base-Base interactions energy: -109.859
where: short stacking energy: -46.471
Base-Backbone interact. energy: -0.816
local terms energy: -71.079510
where:
bonds (distance) C4'-P energy: -19.448
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -21.488
flat angles P-C4'-P energy: -6.634
tors. eta vs tors. theta energy: -5.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -369.139075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.139075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.139075 (E_RNA)
where:
Base-Base interactions energy: -248.743
where: short stacking energy: -106.354
Base-Backbone interact. energy: -0.118
local terms energy: -120.277917
where:
bonds (distance) C4'-P energy: -22.339
bonds (distance) P-C4' energy: -24.095
flat angles C4'-P-C4' energy: -24.826
flat angles P-C4'-P energy: -17.418
tors. eta vs tors. theta energy: -31.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -342.194889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.194889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.194889 (E_RNA)
where:
Base-Base interactions energy: -228.868
where: short stacking energy: -88.151
Base-Backbone interact. energy: -0.913
local terms energy: -112.413328
where:
bonds (distance) C4'-P energy: -22.351
bonds (distance) P-C4' energy: -22.652
flat angles C4'-P-C4' energy: -21.995
flat angles P-C4'-P energy: -19.205
tors. eta vs tors. theta energy: -26.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -291.480015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.480015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.480015 (E_RNA)
where:
Base-Base interactions energy: -193.058
where: short stacking energy: -100.419
Base-Backbone interact. energy: -0.215
local terms energy: -98.206867
where:
bonds (distance) C4'-P energy: -20.852
bonds (distance) P-C4' energy: -20.143
flat angles C4'-P-C4' energy: -21.235
flat angles P-C4'-P energy: -13.672
tors. eta vs tors. theta energy: -22.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -307.449612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.449612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.449612 (E_RNA)
where:
Base-Base interactions energy: -210.758
where: short stacking energy: -85.065
Base-Backbone interact. energy: 0.304
local terms energy: -96.995297
where:
bonds (distance) C4'-P energy: -19.781
bonds (distance) P-C4' energy: -23.002
flat angles C4'-P-C4' energy: -19.447
flat angles P-C4'-P energy: -13.197
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: 6
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -283.788677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.788677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.788677 (E_RNA)
where:
Base-Base interactions energy: -183.584
where: short stacking energy: -96.959
Base-Backbone interact. energy: 0.696
local terms energy: -100.900498
where:
bonds (distance) C4'-P energy: -17.324
bonds (distance) P-C4' energy: -19.312
flat angles C4'-P-C4' energy: -23.197
flat angles P-C4'-P energy: -17.440
tors. eta vs tors. theta energy: -23.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -254.429286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.429286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.429286 (E_RNA)
where:
Base-Base interactions energy: -165.144
where: short stacking energy: -73.871
Base-Backbone interact. energy: -0.258
local terms energy: -89.026700
where:
bonds (distance) C4'-P energy: -21.320
bonds (distance) P-C4' energy: -17.889
flat angles C4'-P-C4' energy: -19.895
flat angles P-C4'-P energy: -16.543
tors. eta vs tors. theta energy: -13.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -247.847502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.847502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.847502 (E_RNA)
where:
Base-Base interactions energy: -159.346
where: short stacking energy: -74.117
Base-Backbone interact. energy: 0.018
local terms energy: -88.519155
where:
bonds (distance) C4'-P energy: -19.761
bonds (distance) P-C4' energy: -23.594
flat angles C4'-P-C4' energy: -14.614
flat angles P-C4'-P energy: -16.484
tors. eta vs tors. theta energy: -14.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -259.569939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.569939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.569939 (E_RNA)
where:
Base-Base interactions energy: -174.787
where: short stacking energy: -64.143
Base-Backbone interact. energy: -0.435
local terms energy: -84.348759
where:
bonds (distance) C4'-P energy: -14.361
bonds (distance) P-C4' energy: -22.234
flat angles C4'-P-C4' energy: -22.102
flat angles P-C4'-P energy: -15.144
tors. eta vs tors. theta energy: -10.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -240.968249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.968249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.968249 (E_RNA)
where:
Base-Base interactions energy: -155.162
where: short stacking energy: -63.749
Base-Backbone interact. energy: -1.120
local terms energy: -84.685905
where:
bonds (distance) C4'-P energy: -20.553
bonds (distance) P-C4' energy: -19.670
flat angles C4'-P-C4' energy: -19.002
flat angles P-C4'-P energy: -16.388
tors. eta vs tors. theta energy: -9.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -218.649401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.649401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.649401 (E_RNA)
where:
Base-Base interactions energy: -131.142
where: short stacking energy: -62.645
Base-Backbone interact. energy: -0.252
local terms energy: -87.255509
where:
bonds (distance) C4'-P energy: -21.431
bonds (distance) P-C4' energy: -20.115
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -14.092
tors. eta vs tors. theta energy: -16.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -363.975948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.975948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.975948 (E_RNA)
where:
Base-Base interactions energy: -246.951
where: short stacking energy: -108.175
Base-Backbone interact. energy: -0.295
local terms energy: -116.730493
where:
bonds (distance) C4'-P energy: -23.249
bonds (distance) P-C4' energy: -18.884
flat angles C4'-P-C4' energy: -23.940
flat angles P-C4'-P energy: -18.550
tors. eta vs tors. theta energy: -32.108
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: 5
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -362.040867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.040867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.040867 (E_RNA)
where:
Base-Base interactions energy: -250.539
where: short stacking energy: -106.184
Base-Backbone interact. energy: -0.351
local terms energy: -111.150635
where:
bonds (distance) C4'-P energy: -23.910
bonds (distance) P-C4' energy: -22.476
flat angles C4'-P-C4' energy: -20.296
flat angles P-C4'-P energy: -13.735
tors. eta vs tors. theta energy: -30.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -314.830510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.830510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.830510 (E_RNA)
where:
Base-Base interactions energy: -224.093
where: short stacking energy: -87.340
Base-Backbone interact. energy: -1.782
local terms energy: -88.955178
where:
bonds (distance) C4'-P energy: -18.065
bonds (distance) P-C4' energy: -18.585
flat angles C4'-P-C4' energy: -20.930
flat angles P-C4'-P energy: -10.593
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: 4, replica: 2
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -289.284188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.284188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.284188 (E_RNA)
where:
Base-Base interactions energy: -192.040
where: short stacking energy: -94.048
Base-Backbone interact. energy: -0.433
local terms energy: -96.810882
where:
bonds (distance) C4'-P energy: -17.806
bonds (distance) P-C4' energy: -21.542
flat angles C4'-P-C4' energy: -20.403
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: -28.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -272.837012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.837012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.837012 (E_RNA)
where:
Base-Base interactions energy: -165.302
where: short stacking energy: -77.454
Base-Backbone interact. energy: -0.362
local terms energy: -107.173620
where:
bonds (distance) C4'-P energy: -21.571
bonds (distance) P-C4' energy: -21.762
flat angles C4'-P-C4' energy: -26.513
flat angles P-C4'-P energy: -17.060
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: 6, replica: 6
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -277.963635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.963635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.963635 (E_RNA)
where:
Base-Base interactions energy: -179.034
where: short stacking energy: -97.104
Base-Backbone interact. energy: -0.192
local terms energy: -98.737459
where:
bonds (distance) C4'-P energy: -18.566
bonds (distance) P-C4' energy: -20.396
flat angles C4'-P-C4' energy: -22.350
flat angles P-C4'-P energy: -10.128
tors. eta vs tors. theta energy: -27.298
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: 9
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -240.170146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.170146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.170146 (E_RNA)
where:
Base-Base interactions energy: -149.754
where: short stacking energy: -64.879
Base-Backbone interact. energy: 0.332
local terms energy: -90.747867
where:
bonds (distance) C4'-P energy: -18.029
bonds (distance) P-C4' energy: -22.107
flat angles C4'-P-C4' energy: -20.954
flat angles P-C4'-P energy: -16.752
tors. eta vs tors. theta energy: -12.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -237.727381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.727381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.727381 (E_RNA)
where:
Base-Base interactions energy: -149.323
where: short stacking energy: -74.479
Base-Backbone interact. energy: -0.191
local terms energy: -88.213370
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -21.894
flat angles C4'-P-C4' energy: -25.680
flat angles P-C4'-P energy: -13.376
tors. eta vs tors. theta energy: -14.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -210.377383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.377383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.377383 (E_RNA)
where:
Base-Base interactions energy: -124.788
where: short stacking energy: -57.649
Base-Backbone interact. energy: -0.083
local terms energy: -85.506396
where:
bonds (distance) C4'-P energy: -21.927
bonds (distance) P-C4' energy: -22.831
flat angles C4'-P-C4' energy: -19.787
flat angles P-C4'-P energy: -7.607
tors. eta vs tors. theta energy: -13.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -234.596597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.596597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.596597 (E_RNA)
where:
Base-Base interactions energy: -157.314
where: short stacking energy: -70.245
Base-Backbone interact. energy: -0.318
local terms energy: -76.964223
where:
bonds (distance) C4'-P energy: -17.453
bonds (distance) P-C4' energy: -18.529
flat angles C4'-P-C4' energy: -17.213
flat angles P-C4'-P energy: -11.821
tors. eta vs tors. theta energy: -11.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -352.914849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.914849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.914849 (E_RNA)
where:
Base-Base interactions energy: -243.029
where: short stacking energy: -93.747
Base-Backbone interact. energy: -0.958
local terms energy: -108.927920
where:
bonds (distance) C4'-P energy: -17.985
bonds (distance) P-C4' energy: -23.256
flat angles C4'-P-C4' energy: -24.768
flat angles P-C4'-P energy: -17.457
tors. eta vs tors. theta energy: -25.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -361.717491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.717491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.717491 (E_RNA)
where:
Base-Base interactions energy: -249.433
where: short stacking energy: -108.351
Base-Backbone interact. energy: -0.022
local terms energy: -112.262108
where:
bonds (distance) C4'-P energy: -20.483
bonds (distance) P-C4' energy: -24.163
flat angles C4'-P-C4' energy: -25.883
flat angles P-C4'-P energy: -13.377
tors. eta vs tors. theta energy: -28.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -323.958035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.958035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.958035 (E_RNA)
where:
Base-Base interactions energy: -211.765
where: short stacking energy: -98.020
Base-Backbone interact. energy: -0.321
local terms energy: -111.872366
where:
bonds (distance) C4'-P energy: -26.010
bonds (distance) P-C4' energy: -20.806
flat angles C4'-P-C4' energy: -22.749
flat angles P-C4'-P energy: -17.748
tors. eta vs tors. theta energy: -24.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -272.844341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.844341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.844341 (E_RNA)
where:
Base-Base interactions energy: -176.026
where: short stacking energy: -84.207
Base-Backbone interact. energy: -0.348
local terms energy: -96.469732
where:
bonds (distance) C4'-P energy: -19.743
bonds (distance) P-C4' energy: -20.276
flat angles C4'-P-C4' energy: -18.380
flat angles P-C4'-P energy: -19.052
tors. eta vs tors. theta energy: -19.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -282.457207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.457207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.457207 (E_RNA)
where:
Base-Base interactions energy: -191.476
where: short stacking energy: -95.273
Base-Backbone interact. energy: -0.142
local terms energy: -90.839613
where:
bonds (distance) C4'-P energy: -18.363
bonds (distance) P-C4' energy: -18.836
flat angles C4'-P-C4' energy: -19.842
flat angles P-C4'-P energy: -5.765
tors. eta vs tors. theta energy: -28.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -269.287985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.287985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.287985 (E_RNA)
where:
Base-Base interactions energy: -174.583
where: short stacking energy: -75.682
Base-Backbone interact. energy: 1.179
local terms energy: -95.884393
where:
bonds (distance) C4'-P energy: -23.626
bonds (distance) P-C4' energy: -21.480
flat angles C4'-P-C4' energy: -18.770
flat angles P-C4'-P energy: -12.349
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: 7, replica: 9
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -254.957819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.957819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.957819 (E_RNA)
where:
Base-Base interactions energy: -167.246
where: short stacking energy: -73.411
Base-Backbone interact. energy: -0.087
local terms energy: -87.625304
where:
bonds (distance) C4'-P energy: -19.569
bonds (distance) P-C4' energy: -23.551
flat angles C4'-P-C4' energy: -12.535
flat angles P-C4'-P energy: -16.262
tors. eta vs tors. theta energy: -15.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -230.323714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.323714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.323714 (E_RNA)
where:
Base-Base interactions energy: -149.872
where: short stacking energy: -56.030
Base-Backbone interact. energy: -0.382
local terms energy: -80.069933
where:
bonds (distance) C4'-P energy: -17.904
bonds (distance) P-C4' energy: -23.425
flat angles C4'-P-C4' energy: -23.001
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -4.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -232.439959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.439959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.439959 (E_RNA)
where:
Base-Base interactions energy: -142.227
where: short stacking energy: -59.411
Base-Backbone interact. energy: -0.267
local terms energy: -89.945717
where:
bonds (distance) C4'-P energy: -22.644
bonds (distance) P-C4' energy: -22.428
flat angles C4'-P-C4' energy: -20.661
flat angles P-C4'-P energy: -9.207
tors. eta vs tors. theta energy: -15.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -235.993100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.993100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.993100 (E_RNA)
where:
Base-Base interactions energy: -147.797
where: short stacking energy: -70.737
Base-Backbone interact. energy: 0.273
local terms energy: -88.469108
where:
bonds (distance) C4'-P energy: -20.177
bonds (distance) P-C4' energy: -23.335
flat angles C4'-P-C4' energy: -16.634
flat angles P-C4'-P energy: -14.428
tors. eta vs tors. theta energy: -13.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -359.141426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.141426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.141426 (E_RNA)
where:
Base-Base interactions energy: -250.626
where: short stacking energy: -111.139
Base-Backbone interact. energy: 0.017
local terms energy: -108.531697
where:
bonds (distance) C4'-P energy: -16.978
bonds (distance) P-C4' energy: -21.213
flat angles C4'-P-C4' energy: -23.476
flat angles P-C4'-P energy: -17.502
tors. eta vs tors. theta energy: -29.363
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: 4
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -353.630784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.630784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.630784 (E_RNA)
where:
Base-Base interactions energy: -244.942
where: short stacking energy: -82.997
Base-Backbone interact. energy: -1.028
local terms energy: -107.660909
where:
bonds (distance) C4'-P energy: -22.664
bonds (distance) P-C4' energy: -21.836
flat angles C4'-P-C4' energy: -25.507
flat angles P-C4'-P energy: -17.206
tors. eta vs tors. theta energy: -20.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -324.378519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.378519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.378519 (E_RNA)
where:
Base-Base interactions energy: -217.899
where: short stacking energy: -95.550
Base-Backbone interact. energy: -0.755
local terms energy: -105.724676
where:
bonds (distance) C4'-P energy: -20.128
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -22.838
flat angles P-C4'-P energy: -15.909
tors. eta vs tors. theta energy: -29.186
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: 1
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -280.099070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.099070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.099070 (E_RNA)
where:
Base-Base interactions energy: -185.928
where: short stacking energy: -72.410
Base-Backbone interact. energy: -0.082
local terms energy: -94.088338
where:
bonds (distance) C4'-P energy: -20.336
bonds (distance) P-C4' energy: -22.145
flat angles C4'-P-C4' energy: -21.143
flat angles P-C4'-P energy: -14.113
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: 6
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -286.118755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.118755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.118755 (E_RNA)
where:
Base-Base interactions energy: -178.766
where: short stacking energy: -79.067
Base-Backbone interact. energy: -0.228
local terms energy: -107.125037
where:
bonds (distance) C4'-P energy: -20.678
bonds (distance) P-C4' energy: -25.349
flat angles C4'-P-C4' energy: -24.828
flat angles P-C4'-P energy: -18.733
tors. eta vs tors. theta energy: -17.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -257.812702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.812702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.812702 (E_RNA)
where:
Base-Base interactions energy: -152.692
where: short stacking energy: -69.560
Base-Backbone interact. energy: -0.183
local terms energy: -104.938158
where:
bonds (distance) C4'-P energy: -23.953
bonds (distance) P-C4' energy: -25.963
flat angles C4'-P-C4' energy: -23.246
flat angles P-C4'-P energy: -16.579
tors. eta vs tors. theta energy: -15.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -249.260918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.260918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.260918 (E_RNA)
where:
Base-Base interactions energy: -162.005
where: short stacking energy: -75.360
Base-Backbone interact. energy: 0.463
local terms energy: -87.718968
where:
bonds (distance) C4'-P energy: -20.035
bonds (distance) P-C4' energy: -18.008
flat angles C4'-P-C4' energy: -22.054
flat angles P-C4'-P energy: -14.726
tors. eta vs tors. theta energy: -12.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -250.755435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.755435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.755435 (E_RNA)
where:
Base-Base interactions energy: -158.193
where: short stacking energy: -74.482
Base-Backbone interact. energy: -0.149
local terms energy: -92.412968
where:
bonds (distance) C4'-P energy: -21.221
bonds (distance) P-C4' energy: -26.009
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -11.906
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: 9, replica: 8
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -238.851382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.851382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.851382 (E_RNA)
where:
Base-Base interactions energy: -152.749
where: short stacking energy: -66.079
Base-Backbone interact. energy: -1.055
local terms energy: -85.046682
where:
bonds (distance) C4'-P energy: -19.925
bonds (distance) P-C4' energy: -17.199
flat angles C4'-P-C4' energy: -19.784
flat angles P-C4'-P energy: -12.319
tors. eta vs tors. theta energy: -15.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -218.890034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.890034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.890034 (E_RNA)
where:
Base-Base interactions energy: -144.587
where: short stacking energy: -68.687
Base-Backbone interact. energy: 0.123
local terms energy: -74.426056
where:
bonds (distance) C4'-P energy: -15.724
bonds (distance) P-C4' energy: -12.906
flat angles C4'-P-C4' energy: -22.613
flat angles P-C4'-P energy: -13.011
tors. eta vs tors. theta energy: -10.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -367.673169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.673169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.673169 (E_RNA)
where:
Base-Base interactions energy: -245.930
where: short stacking energy: -110.845
Base-Backbone interact. energy: -0.161
local terms energy: -121.582143
where:
bonds (distance) C4'-P energy: -21.616
bonds (distance) P-C4' energy: -24.465
flat angles C4'-P-C4' energy: -25.120
flat angles P-C4'-P energy: -19.130
tors. eta vs tors. theta energy: -31.253
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: 2, replica: 4
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -344.163594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.163594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.163594 (E_RNA)
where:
Base-Base interactions energy: -230.232
where: short stacking energy: -90.772
Base-Backbone interact. energy: -1.008
local terms energy: -112.923496
where:
bonds (distance) C4'-P energy: -23.006
bonds (distance) P-C4' energy: -24.480
flat angles C4'-P-C4' energy: -22.422
flat angles P-C4'-P energy: -16.121
tors. eta vs tors. theta energy: -26.895
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: 3
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -326.035862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.035862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.035862 (E_RNA)
where:
Base-Base interactions energy: -208.894
where: short stacking energy: -103.635
Base-Backbone interact. energy: -0.128
local terms energy: -117.014275
where:
bonds (distance) C4'-P energy: -24.337
bonds (distance) P-C4' energy: -23.111
flat angles C4'-P-C4' energy: -21.285
flat angles P-C4'-P energy: -17.565
tors. eta vs tors. theta energy: -30.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -278.075178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.075178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.075178 (E_RNA)
where:
Base-Base interactions energy: -171.948
where: short stacking energy: -90.090
Base-Backbone interact. energy: -0.048
local terms energy: -106.079010
where:
bonds (distance) C4'-P energy: -19.500
bonds (distance) P-C4' energy: -20.383
flat angles C4'-P-C4' energy: -25.222
flat angles P-C4'-P energy: -17.456
tors. eta vs tors. theta energy: -23.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -289.220946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.220946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.220946 (E_RNA)
where:
Base-Base interactions energy: -178.906
where: short stacking energy: -85.868
Base-Backbone interact. energy: -1.137
local terms energy: -109.178040
where:
bonds (distance) C4'-P energy: -23.087
bonds (distance) P-C4' energy: -23.682
flat angles C4'-P-C4' energy: -23.279
flat angles P-C4'-P energy: -16.572
tors. eta vs tors. theta energy: -22.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -260.734764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.734764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.734764 (E_RNA)
where:
Base-Base interactions energy: -169.680
where: short stacking energy: -75.118
Base-Backbone interact. energy: -0.577
local terms energy: -90.478140
where:
bonds (distance) C4'-P energy: -22.131
bonds (distance) P-C4' energy: -17.715
flat angles C4'-P-C4' energy: -19.577
flat angles P-C4'-P energy: -9.280
tors. eta vs tors. theta energy: -21.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -257.261656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.261656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.261656 (E_RNA)
where:
Base-Base interactions energy: -164.727
where: short stacking energy: -81.802
Base-Backbone interact. energy: -0.260
local terms energy: -92.274464
where:
bonds (distance) C4'-P energy: -20.641
bonds (distance) P-C4' energy: -21.423
flat angles C4'-P-C4' energy: -23.473
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: -15.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -248.845619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.845619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.845619 (E_RNA)
where:
Base-Base interactions energy: -154.745
where: short stacking energy: -70.293
Base-Backbone interact. energy: -0.025
local terms energy: -94.076180
where:
bonds (distance) C4'-P energy: -18.578
bonds (distance) P-C4' energy: -22.269
flat angles C4'-P-C4' energy: -21.443
flat angles P-C4'-P energy: -13.523
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: 9, replica: 9
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -233.153196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.153196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.153196 (E_RNA)
where:
Base-Base interactions energy: -153.051
where: short stacking energy: -71.341
Base-Backbone interact. energy: -0.080
local terms energy: -80.022974
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -24.211
flat angles C4'-P-C4' energy: -16.438
flat angles P-C4'-P energy: -8.016
tors. eta vs tors. theta energy: -17.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -210.283096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.283096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.283096 (E_RNA)
where:
Base-Base interactions energy: -138.428
where: short stacking energy: -59.675
Base-Backbone interact. energy: -0.883
local terms energy: -70.972469
where:
bonds (distance) C4'-P energy: -18.079
bonds (distance) P-C4' energy: -13.789
flat angles C4'-P-C4' energy: -23.494
flat angles P-C4'-P energy: -3.152
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: 1, replica: 4
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -354.991625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.991625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.991625 (E_RNA)
where:
Base-Base interactions energy: -229.111
where: short stacking energy: -107.540
Base-Backbone interact. energy: -0.017
local terms energy: -125.864388
where:
bonds (distance) C4'-P energy: -23.493
bonds (distance) P-C4' energy: -23.271
flat angles C4'-P-C4' energy: -24.403
flat angles P-C4'-P energy: -20.246
tors. eta vs tors. theta energy: -34.451
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: 5
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -365.950388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.950388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.950388 (E_RNA)
where:
Base-Base interactions energy: -252.638
where: short stacking energy: -113.473
Base-Backbone interact. energy: -0.228
local terms energy: -113.085213
where:
bonds (distance) C4'-P energy: -21.945
bonds (distance) P-C4' energy: -22.290
flat angles C4'-P-C4' energy: -21.147
flat angles P-C4'-P energy: -20.043
tors. eta vs tors. theta energy: -27.660
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: 3
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -320.107851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.107851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.107851 (E_RNA)
where:
Base-Base interactions energy: -216.946
where: short stacking energy: -97.371
Base-Backbone interact. energy: 0.346
local terms energy: -103.508105
where:
bonds (distance) C4'-P energy: -21.357
bonds (distance) P-C4' energy: -16.888
flat angles C4'-P-C4' energy: -19.508
flat angles P-C4'-P energy: -16.973
tors. eta vs tors. theta energy: -28.781
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: 1
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -273.706821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.706821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.706821 (E_RNA)
where:
Base-Base interactions energy: -171.967
where: short stacking energy: -86.627
Base-Backbone interact. energy: -1.356
local terms energy: -100.383225
where:
bonds (distance) C4'-P energy: -18.094
bonds (distance) P-C4' energy: -26.452
flat angles C4'-P-C4' energy: -23.249
flat angles P-C4'-P energy: -13.633
tors. eta vs tors. theta energy: -18.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -272.855302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.855302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.855302 (E_RNA)
where:
Base-Base interactions energy: -170.083
where: short stacking energy: -75.944
Base-Backbone interact. energy: -0.057
local terms energy: -102.715060
where:
bonds (distance) C4'-P energy: -23.555
bonds (distance) P-C4' energy: -16.842
flat angles C4'-P-C4' energy: -23.551
flat angles P-C4'-P energy: -20.897
tors. eta vs tors. theta energy: -17.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -252.493439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.493439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.493439 (E_RNA)
where:
Base-Base interactions energy: -159.238
where: short stacking energy: -75.020
Base-Backbone interact. energy: -0.475
local terms energy: -92.780556
where:
bonds (distance) C4'-P energy: -24.350
bonds (distance) P-C4' energy: -22.573
flat angles C4'-P-C4' energy: -19.599
flat angles P-C4'-P energy: -11.058
tors. eta vs tors. theta energy: -15.201
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: 2
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -246.420589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.420589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.420589 (E_RNA)
where:
Base-Base interactions energy: -167.781
where: short stacking energy: -78.318
Base-Backbone interact. energy: -0.247
local terms energy: -78.392259
where:
bonds (distance) C4'-P energy: -16.063
bonds (distance) P-C4' energy: -18.707
flat angles C4'-P-C4' energy: -16.593
flat angles P-C4'-P energy: -13.948
tors. eta vs tors. theta energy: -13.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -258.733525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.733525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.733525 (E_RNA)
where:
Base-Base interactions energy: -163.884
where: short stacking energy: -76.162
Base-Backbone interact. energy: -0.220
local terms energy: -94.629508
where:
bonds (distance) C4'-P energy: -19.862
bonds (distance) P-C4' energy: -18.232
flat angles C4'-P-C4' energy: -22.579
flat angles P-C4'-P energy: -15.223
tors. eta vs tors. theta energy: -18.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -231.877173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.877173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.877173 (E_RNA)
where:
Base-Base interactions energy: -152.617
where: short stacking energy: -67.826
Base-Backbone interact. energy: -0.801
local terms energy: -78.459233
where:
bonds (distance) C4'-P energy: -23.403
bonds (distance) P-C4' energy: -20.078
flat angles C4'-P-C4' energy: -16.693
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -8.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -213.208540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.208540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.208540 (E_RNA)
where:
Base-Base interactions energy: -125.734
where: short stacking energy: -56.933
Base-Backbone interact. energy: -0.501
local terms energy: -86.973722
where:
bonds (distance) C4'-P energy: -19.257
bonds (distance) P-C4' energy: -20.912
flat angles C4'-P-C4' energy: -19.520
flat angles P-C4'-P energy: -13.568
tors. eta vs tors. theta energy: -13.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -345.982277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.982277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.982277 (E_RNA)
where:
Base-Base interactions energy: -238.154
where: short stacking energy: -108.606
Base-Backbone interact. energy: -0.296
local terms energy: -107.532227
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -25.419
flat angles C4'-P-C4' energy: -22.503
flat angles P-C4'-P energy: -12.916
tors. eta vs tors. theta energy: -32.503
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: 5
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -359.606582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.606582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.606582 (E_RNA)
where:
Base-Base interactions energy: -239.461
where: short stacking energy: -113.878
Base-Backbone interact. energy: -0.072
local terms energy: -120.073237
where:
bonds (distance) C4'-P energy: -21.987
bonds (distance) P-C4' energy: -20.680
flat angles C4'-P-C4' energy: -23.229
flat angles P-C4'-P energy: -17.460
tors. eta vs tors. theta energy: -36.716
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: 3
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -315.591229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.591229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.591229 (E_RNA)
where:
Base-Base interactions energy: -202.906
where: short stacking energy: -101.236
Base-Backbone interact. energy: -0.209
local terms energy: -112.475913
where:
bonds (distance) C4'-P energy: -23.480
bonds (distance) P-C4' energy: -19.239
flat angles C4'-P-C4' energy: -23.420
flat angles P-C4'-P energy: -18.118
tors. eta vs tors. theta energy: -28.220
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: 1
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -275.624861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.624861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.624861 (E_RNA)
where:
Base-Base interactions energy: -176.618
where: short stacking energy: -84.073
Base-Backbone interact. energy: -0.217
local terms energy: -98.789273
where:
bonds (distance) C4'-P energy: -21.775
bonds (distance) P-C4' energy: -21.080
flat angles C4'-P-C4' energy: -24.875
flat angles P-C4'-P energy: -13.090
tors. eta vs tors. theta energy: -17.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -270.016667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.016667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.016667 (E_RNA)
where:
Base-Base interactions energy: -166.366
where: short stacking energy: -86.229
Base-Backbone interact. energy: -0.095
local terms energy: -103.554871
where:
bonds (distance) C4'-P energy: -23.084
bonds (distance) P-C4' energy: -24.179
flat angles C4'-P-C4' energy: -17.524
flat angles P-C4'-P energy: -14.219
tors. eta vs tors. theta energy: -24.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -264.679733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.679733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.679733 (E_RNA)
where:
Base-Base interactions energy: -177.364
where: short stacking energy: -76.473
Base-Backbone interact. energy: -0.568
local terms energy: -86.746905
where:
bonds (distance) C4'-P energy: -22.665
bonds (distance) P-C4' energy: -10.932
flat angles C4'-P-C4' energy: -23.056
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -20.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -246.269811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.269811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.269811 (E_RNA)
where:
Base-Base interactions energy: -158.770
where: short stacking energy: -72.005
Base-Backbone interact. energy: -0.178
local terms energy: -87.322252
where:
bonds (distance) C4'-P energy: -20.808
bonds (distance) P-C4' energy: -20.795
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -9.188
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: 8, replica: 10
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -254.595360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.595360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.595360 (E_RNA)
where:
Base-Base interactions energy: -163.324
where: short stacking energy: -73.648
Base-Backbone interact. energy: -0.154
local terms energy: -91.117699
where:
bonds (distance) C4'-P energy: -20.317
bonds (distance) P-C4' energy: -18.229
flat angles C4'-P-C4' energy: -23.645
flat angles P-C4'-P energy: -15.401
tors. eta vs tors. theta energy: -13.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -232.589617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.589617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.589617 (E_RNA)
where:
Base-Base interactions energy: -150.489
where: short stacking energy: -59.900
Base-Backbone interact. energy: -0.555
local terms energy: -81.545388
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -21.741
flat angles C4'-P-C4' energy: -22.022
flat angles P-C4'-P energy: -14.592
tors. eta vs tors. theta energy: -8.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -214.109379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.109379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.109379 (E_RNA)
where:
Base-Base interactions energy: -141.808
where: short stacking energy: -61.172
Base-Backbone interact. energy: -0.191
local terms energy: -72.111233
where:
bonds (distance) C4'-P energy: -19.619
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -10.559
tors. eta vs tors. theta energy: -10.136
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: 5
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -368.393608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.393608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.393608 (E_RNA)
where:
Base-Base interactions energy: -247.790
where: short stacking energy: -105.115
Base-Backbone interact. energy: -0.101
local terms energy: -120.502123
where:
bonds (distance) C4'-P energy: -19.734
bonds (distance) P-C4' energy: -23.404
flat angles C4'-P-C4' energy: -23.186
flat angles P-C4'-P energy: -20.141
tors. eta vs tors. theta energy: -34.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -349.219749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.219749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.219749 (E_RNA)
where:
Base-Base interactions energy: -233.103
where: short stacking energy: -108.946
Base-Backbone interact. energy: -0.243
local terms energy: -115.873535
where:
bonds (distance) C4'-P energy: -19.479
bonds (distance) P-C4' energy: -22.326
flat angles C4'-P-C4' energy: -25.512
flat angles P-C4'-P energy: -15.093
tors. eta vs tors. theta energy: -33.464
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: 3
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -321.418284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.418284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.418284 (E_RNA)
where:
Base-Base interactions energy: -214.961
where: short stacking energy: -104.472
Base-Backbone interact. energy: -0.372
local terms energy: -106.085103
where:
bonds (distance) C4'-P energy: -24.470
bonds (distance) P-C4' energy: -23.057
flat angles C4'-P-C4' energy: -21.569
flat angles P-C4'-P energy: -7.827
tors. eta vs tors. theta energy: -29.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -281.126691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.126691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.126691 (E_RNA)
where:
Base-Base interactions energy: -177.438
where: short stacking energy: -79.117
Base-Backbone interact. energy: -1.511
local terms energy: -102.177734
where:
bonds (distance) C4'-P energy: -21.184
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -21.518
flat angles P-C4'-P energy: -19.568
tors. eta vs tors. theta energy: -24.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -262.903729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.903729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.903729 (E_RNA)
where:
Base-Base interactions energy: -169.058
where: short stacking energy: -72.515
Base-Backbone interact. energy: -1.046
local terms energy: -92.798968
where:
bonds (distance) C4'-P energy: -20.214
bonds (distance) P-C4' energy: -20.930
flat angles C4'-P-C4' energy: -24.234
flat angles P-C4'-P energy: -16.943
tors. eta vs tors. theta energy: -10.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -262.975103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.975103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.975103 (E_RNA)
where:
Base-Base interactions energy: -157.666
where: short stacking energy: -82.703
Base-Backbone interact. energy: -0.133
local terms energy: -105.176659
where:
bonds (distance) C4'-P energy: -23.170
bonds (distance) P-C4' energy: -22.968
flat angles C4'-P-C4' energy: -20.234
flat angles P-C4'-P energy: -13.962
tors. eta vs tors. theta energy: -24.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -257.431929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.431929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.431929 (E_RNA)
where:
Base-Base interactions energy: -163.136
where: short stacking energy: -84.239
Base-Backbone interact. energy: -0.093
local terms energy: -94.202970
where:
bonds (distance) C4'-P energy: -19.436
bonds (distance) P-C4' energy: -25.300
flat angles C4'-P-C4' energy: -21.950
flat angles P-C4'-P energy: -8.967
tors. eta vs tors. theta energy: -18.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -241.132649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.132649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.132649 (E_RNA)
where:
Base-Base interactions energy: -152.045
where: short stacking energy: -68.059
Base-Backbone interact. energy: -0.270
local terms energy: -88.817294
where:
bonds (distance) C4'-P energy: -18.587
bonds (distance) P-C4' energy: -22.161
flat angles C4'-P-C4' energy: -23.984
flat angles P-C4'-P energy: -11.909
tors. eta vs tors. theta energy: -12.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -208.741281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.741281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.741281 (E_RNA)
where:
Base-Base interactions energy: -123.563
where: short stacking energy: -60.653
Base-Backbone interact. energy: -0.190
local terms energy: -84.988401
where:
bonds (distance) C4'-P energy: -20.268
bonds (distance) P-C4' energy: -19.479
flat angles C4'-P-C4' energy: -19.001
flat angles P-C4'-P energy: -12.790
tors. eta vs tors. theta energy: -13.450
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: 10, replica: 8
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -212.701803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.701803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.701803 (E_RNA)
where:
Base-Base interactions energy: -130.465
where: short stacking energy: -57.330
Base-Backbone interact. energy: -0.041
local terms energy: -82.195920
where:
bonds (distance) C4'-P energy: -15.360
bonds (distance) P-C4' energy: -23.170
flat angles C4'-P-C4' energy: -24.567
flat angles P-C4'-P energy: -9.177
tors. eta vs tors. theta energy: -9.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -373.877651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.877651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.877651 (E_RNA)
where:
Base-Base interactions energy: -251.567
where: short stacking energy: -107.696
Base-Backbone interact. energy: -0.075
local terms energy: -122.235560
where:
bonds (distance) C4'-P energy: -24.197
bonds (distance) P-C4' energy: -18.251
flat angles C4'-P-C4' energy: -27.546
flat angles P-C4'-P energy: -16.867
tors. eta vs tors. theta energy: -35.374
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: 2, replica: 3
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -336.052931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.052931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.052931 (E_RNA)
where:
Base-Base interactions energy: -227.160
where: short stacking energy: -99.727
Base-Backbone interact. energy: 2.428
local terms energy: -111.320398
where:
bonds (distance) C4'-P energy: -26.172
bonds (distance) P-C4' energy: -20.643
flat angles C4'-P-C4' energy: -24.690
flat angles P-C4'-P energy: -11.652
tors. eta vs tors. theta energy: -28.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -329.084172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.084172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.084172 (E_RNA)
where:
Base-Base interactions energy: -227.177
where: short stacking energy: -105.132
Base-Backbone interact. energy: -0.129
local terms energy: -101.778363
where:
bonds (distance) C4'-P energy: -19.820
bonds (distance) P-C4' energy: -17.901
flat angles C4'-P-C4' energy: -20.411
flat angles P-C4'-P energy: -15.058
tors. eta vs tors. theta energy: -28.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -295.847021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.847021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.847021 (E_RNA)
where:
Base-Base interactions energy: -198.185
where: short stacking energy: -77.385
Base-Backbone interact. energy: -0.721
local terms energy: -96.941797
where:
bonds (distance) C4'-P energy: -18.988
bonds (distance) P-C4' energy: -17.872
flat angles C4'-P-C4' energy: -24.431
flat angles P-C4'-P energy: -19.984
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: 5, replica: 1
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -273.946486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.946486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.946486 (E_RNA)
where:
Base-Base interactions energy: -173.373
where: short stacking energy: -85.118
Base-Backbone interact. energy: -0.168
local terms energy: -100.406030
where:
bonds (distance) C4'-P energy: -14.986
bonds (distance) P-C4' energy: -27.142
flat angles C4'-P-C4' energy: -19.703
flat angles P-C4'-P energy: -14.934
tors. eta vs tors. theta energy: -23.641
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: 10
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -258.749492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.749492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.749492 (E_RNA)
where:
Base-Base interactions energy: -169.125
where: short stacking energy: -81.193
Base-Backbone interact. energy: -0.400
local terms energy: -89.224772
where:
bonds (distance) C4'-P energy: -20.113
bonds (distance) P-C4' energy: -22.843
flat angles C4'-P-C4' energy: -19.434
flat angles P-C4'-P energy: -7.869
tors. eta vs tors. theta energy: -18.966
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: 207
Temperature: 1.200000
Total energy: -243.833222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.833222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.833222 (E_RNA)
where:
Base-Base interactions energy: -155.819
where: short stacking energy: -71.551
Base-Backbone interact. energy: -0.144
local terms energy: -87.870728
where:
bonds (distance) C4'-P energy: -19.505
bonds (distance) P-C4' energy: -16.222
flat angles C4'-P-C4' energy: -16.647
flat angles P-C4'-P energy: -14.972
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: 8, replica: 6
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -249.251514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.251514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.251514 (E_RNA)
where:
Base-Base interactions energy: -152.296
where: short stacking energy: -69.521
Base-Backbone interact. energy: -0.562
local terms energy: -96.393637
where:
bonds (distance) C4'-P energy: -17.821
bonds (distance) P-C4' energy: -17.849
flat angles C4'-P-C4' energy: -24.880
flat angles P-C4'-P energy: -18.504
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: 9, replica: 9
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -208.711483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.711483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.711483 (E_RNA)
where:
Base-Base interactions energy: -124.512
where: short stacking energy: -61.140
Base-Backbone interact. energy: -0.428
local terms energy: -83.771735
where:
bonds (distance) C4'-P energy: -20.235
bonds (distance) P-C4' energy: -23.691
flat angles C4'-P-C4' energy: -19.617
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -11.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -186.293134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.293134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.293134 (E_RNA)
where:
Base-Base interactions energy: -110.096
where: short stacking energy: -58.121
Base-Backbone interact. energy: -0.255
local terms energy: -75.941881
where:
bonds (distance) C4'-P energy: -22.728
bonds (distance) P-C4' energy: -20.672
flat angles C4'-P-C4' energy: -17.360
flat angles P-C4'-P energy: -10.128
tors. eta vs tors. theta energy: -5.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -366.187338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.187338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.187338 (E_RNA)
where:
Base-Base interactions energy: -251.027
where: short stacking energy: -112.107
Base-Backbone interact. energy: -0.697
local terms energy: -114.463842
where:
bonds (distance) C4'-P energy: -15.503
bonds (distance) P-C4' energy: -22.239
flat angles C4'-P-C4' energy: -27.090
flat angles P-C4'-P energy: -17.630
tors. eta vs tors. theta energy: -32.003
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: 3
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -331.081468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.081468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.081468 (E_RNA)
where:
Base-Base interactions energy: -215.396
where: short stacking energy: -96.027
Base-Backbone interact. energy: -0.815
local terms energy: -114.870627
where:
bonds (distance) C4'-P energy: -23.047
bonds (distance) P-C4' energy: -23.167
flat angles C4'-P-C4' energy: -25.652
flat angles P-C4'-P energy: -18.106
tors. eta vs tors. theta energy: -24.899
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: 208
Temperature: 1.000000
Total energy: -295.795013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.795013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.795013 (E_RNA)
where:
Base-Base interactions energy: -193.783
where: short stacking energy: -88.519
Base-Backbone interact. energy: -0.103
local terms energy: -101.908853
where:
bonds (distance) C4'-P energy: -18.341
bonds (distance) P-C4' energy: -22.076
flat angles C4'-P-C4' energy: -23.453
flat angles P-C4'-P energy: -15.300
tors. eta vs tors. theta energy: -22.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -337.077125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.077125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.077125 (E_RNA)
where:
Base-Base interactions energy: -230.666
where: short stacking energy: -88.861
Base-Backbone interact. energy: -0.170
local terms energy: -106.240462
where:
bonds (distance) C4'-P energy: -19.616
bonds (distance) P-C4' energy: -27.354
flat angles C4'-P-C4' energy: -22.229
flat angles P-C4'-P energy: -12.060
tors. eta vs tors. theta energy: -24.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -275.087121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.087121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.087121 (E_RNA)
where:
Base-Base interactions energy: -170.930
where: short stacking energy: -83.335
Base-Backbone interact. energy: -0.109
local terms energy: -104.048047
where:
bonds (distance) C4'-P energy: -21.916
bonds (distance) P-C4' energy: -22.549
flat angles C4'-P-C4' energy: -22.711
flat angles P-C4'-P energy: -13.344
tors. eta vs tors. theta energy: -23.527
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: 1
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -269.939670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.939670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.939670 (E_RNA)
where:
Base-Base interactions energy: -170.356
where: short stacking energy: -72.774
Base-Backbone interact. energy: -0.182
local terms energy: -99.401443
where:
bonds (distance) C4'-P energy: -19.420
bonds (distance) P-C4' energy: -24.087
flat angles C4'-P-C4' energy: -19.696
flat angles P-C4'-P energy: -15.429
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: 7, replica: 6
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -257.953973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.953973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.953973 (E_RNA)
where:
Base-Base interactions energy: -161.373
where: short stacking energy: -74.071
Base-Backbone interact. energy: -0.228
local terms energy: -96.353118
where:
bonds (distance) C4'-P energy: -22.968
bonds (distance) P-C4' energy: -19.369
flat angles C4'-P-C4' energy: -24.328
flat angles P-C4'-P energy: -16.974
tors. eta vs tors. theta energy: -12.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -243.774036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.774036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.774036 (E_RNA)
where:
Base-Base interactions energy: -158.031
where: short stacking energy: -64.797
Base-Backbone interact. energy: -0.423
local terms energy: -85.319639
where:
bonds (distance) C4'-P energy: -19.149
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -21.100
flat angles P-C4'-P energy: -18.717
tors. eta vs tors. theta energy: -9.025
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: 8
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -195.784093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.784093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.784093 (E_RNA)
where:
Base-Base interactions energy: -104.697
where: short stacking energy: -54.970
Base-Backbone interact. energy: -0.104
local terms energy: -90.983392
where:
bonds (distance) C4'-P energy: -21.851
bonds (distance) P-C4' energy: -18.127
flat angles C4'-P-C4' energy: -25.418
flat angles P-C4'-P energy: -15.103
tors. eta vs tors. theta energy: -10.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -198.332031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.332031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.332031 (E_RNA)
where:
Base-Base interactions energy: -117.521
where: short stacking energy: -59.048
Base-Backbone interact. energy: 0.401
local terms energy: -81.212083
where:
bonds (distance) C4'-P energy: -20.097
bonds (distance) P-C4' energy: -19.352
flat angles C4'-P-C4' energy: -19.796
flat angles P-C4'-P energy: -14.375
tors. eta vs tors. theta energy: -7.592
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: 5
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -371.612731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.612731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.612731 (E_RNA)
where:
Base-Base interactions energy: -249.147
where: short stacking energy: -105.229
Base-Backbone interact. energy: -0.073
local terms energy: -122.392898
where:
bonds (distance) C4'-P energy: -25.244
bonds (distance) P-C4' energy: -20.004
flat angles C4'-P-C4' energy: -23.829
flat angles P-C4'-P energy: -20.584
tors. eta vs tors. theta energy: -32.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -329.540733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.540733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.540733 (E_RNA)
where:
Base-Base interactions energy: -225.587
where: short stacking energy: -89.797
Base-Backbone interact. energy: 0.986
local terms energy: -104.939571
where:
bonds (distance) C4'-P energy: -18.214
bonds (distance) P-C4' energy: -24.941
flat angles C4'-P-C4' energy: -23.851
flat angles P-C4'-P energy: -8.029
tors. eta vs tors. theta energy: -29.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -305.609738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.609738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.609738 (E_RNA)
where:
Base-Base interactions energy: -205.796
where: short stacking energy: -85.010
Base-Backbone interact. energy: -0.491
local terms energy: -99.322645
where:
bonds (distance) C4'-P energy: -18.517
bonds (distance) P-C4' energy: -21.669
flat angles C4'-P-C4' energy: -25.814
flat angles P-C4'-P energy: -12.395
tors. eta vs tors. theta energy: -20.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -330.571557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.571557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.571557 (E_RNA)
where:
Base-Base interactions energy: -229.029
where: short stacking energy: -106.781
Base-Backbone interact. energy: -0.241
local terms energy: -101.301404
where:
bonds (distance) C4'-P energy: -14.796
bonds (distance) P-C4' energy: -21.381
flat angles C4'-P-C4' energy: -23.388
flat angles P-C4'-P energy: -11.955
tors. eta vs tors. theta energy: -29.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -269.984345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.984345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.984345 (E_RNA)
where:
Base-Base interactions energy: -177.333
where: short stacking energy: -79.569
Base-Backbone interact. energy: -0.124
local terms energy: -92.528066
where:
bonds (distance) C4'-P energy: -21.652
bonds (distance) P-C4' energy: -20.668
flat angles C4'-P-C4' energy: -17.644
flat angles P-C4'-P energy: -11.148
tors. eta vs tors. theta energy: -21.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -284.814302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.814302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.814302 (E_RNA)
where:
Base-Base interactions energy: -187.143
where: short stacking energy: -85.093
Base-Backbone interact. energy: -0.241
local terms energy: -97.429949
where:
bonds (distance) C4'-P energy: -23.663
bonds (distance) P-C4' energy: -17.802
flat angles C4'-P-C4' energy: -20.423
flat angles P-C4'-P energy: -16.597
tors. eta vs tors. theta energy: -18.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -245.046745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.046745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.046745 (E_RNA)
where:
Base-Base interactions energy: -156.989
where: short stacking energy: -77.415
Base-Backbone interact. energy: -0.414
local terms energy: -87.644035
where:
bonds (distance) C4'-P energy: -14.056
bonds (distance) P-C4' energy: -22.814
flat angles C4'-P-C4' energy: -22.575
flat angles P-C4'-P energy: -14.870
tors. eta vs tors. theta energy: -13.330
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: 7
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -250.930288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.930288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.930288 (E_RNA)
where:
Base-Base interactions energy: -160.075
where: short stacking energy: -73.956
Base-Backbone interact. energy: -0.029
local terms energy: -90.826637
where:
bonds (distance) C4'-P energy: -19.144
bonds (distance) P-C4' energy: -22.798
flat angles C4'-P-C4' energy: -20.283
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -17.393
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: 8
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -198.696282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.696282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.696282 (E_RNA)
where:
Base-Base interactions energy: -116.715
where: short stacking energy: -62.135
Base-Backbone interact. energy: -0.031
local terms energy: -81.949748
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -22.955
flat angles C4'-P-C4' energy: -24.221
flat angles P-C4'-P energy: -12.317
tors. eta vs tors. theta energy: -7.543
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: 9
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -203.363497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.363497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.363497 (E_RNA)
where:
Base-Base interactions energy: -119.469
where: short stacking energy: -62.218
Base-Backbone interact. energy: 0.071
local terms energy: -83.966043
where:
bonds (distance) C4'-P energy: -19.548
bonds (distance) P-C4' energy: -14.724
flat angles C4'-P-C4' energy: -23.333
flat angles P-C4'-P energy: -12.653
tors. eta vs tors. theta energy: -13.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -373.262719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.262719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.262719 (E_RNA)
where:
Base-Base interactions energy: -249.962
where: short stacking energy: -102.781
Base-Backbone interact. energy: -0.016
local terms energy: -123.284664
where:
bonds (distance) C4'-P energy: -21.718
bonds (distance) P-C4' energy: -25.284
flat angles C4'-P-C4' energy: -25.153
flat angles P-C4'-P energy: -17.857
tors. eta vs tors. theta energy: -33.272
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: 2, replica: 3
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -344.113753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.113753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.113753 (E_RNA)
where:
Base-Base interactions energy: -240.980
where: short stacking energy: -97.236
Base-Backbone interact. energy: 1.146
local terms energy: -104.280041
where:
bonds (distance) C4'-P energy: -25.750
bonds (distance) P-C4' energy: -21.455
flat angles C4'-P-C4' energy: -20.697
flat angles P-C4'-P energy: -9.249
tors. eta vs tors. theta energy: -27.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -323.995547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.995547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.995547 (E_RNA)
where:
Base-Base interactions energy: -206.498
where: short stacking energy: -83.608
Base-Backbone interact. energy: -0.239
local terms energy: -117.258781
where:
bonds (distance) C4'-P energy: -23.004
bonds (distance) P-C4' energy: -27.280
flat angles C4'-P-C4' energy: -23.772
flat angles P-C4'-P energy: -18.463
tors. eta vs tors. theta energy: -24.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -287.103001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.103001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.103001 (E_RNA)
where:
Base-Base interactions energy: -187.539
where: short stacking energy: -90.016
Base-Backbone interact. energy: -0.321
local terms energy: -99.243578
where:
bonds (distance) C4'-P energy: -27.062
bonds (distance) P-C4' energy: -22.616
flat angles C4'-P-C4' energy: -21.124
flat angles P-C4'-P energy: -9.716
tors. eta vs tors. theta energy: -18.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -278.965828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.965828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.965828 (E_RNA)
where:
Base-Base interactions energy: -183.034
where: short stacking energy: -97.267
Base-Backbone interact. energy: -0.187
local terms energy: -95.745217
where:
bonds (distance) C4'-P energy: -22.052
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -25.258
flat angles P-C4'-P energy: -5.894
tors. eta vs tors. theta energy: -25.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -272.819131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.819131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.819131 (E_RNA)
where:
Base-Base interactions energy: -181.348
where: short stacking energy: -85.832
Base-Backbone interact. energy: -0.023
local terms energy: -91.448018
where:
bonds (distance) C4'-P energy: -16.982
bonds (distance) P-C4' energy: -26.685
flat angles C4'-P-C4' energy: -14.319
flat angles P-C4'-P energy: -13.199
tors. eta vs tors. theta energy: -20.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -259.606230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.606230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.606230 (E_RNA)
where:
Base-Base interactions energy: -167.017
where: short stacking energy: -77.833
Base-Backbone interact. energy: -0.256
local terms energy: -92.333834
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -21.882
flat angles C4'-P-C4' energy: -23.502
flat angles P-C4'-P energy: -14.233
tors. eta vs tors. theta energy: -19.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -239.243093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.243093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.243093 (E_RNA)
where:
Base-Base interactions energy: -163.640
where: short stacking energy: -68.615
Base-Backbone interact. energy: -0.255
local terms energy: -75.348135
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -15.987
flat angles C4'-P-C4' energy: -17.547
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -15.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -230.282302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.282302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.282302 (E_RNA)
where:
Base-Base interactions energy: -145.654
where: short stacking energy: -61.521
Base-Backbone interact. energy: -0.210
local terms energy: -84.418715
where:
bonds (distance) C4'-P energy: -13.828
bonds (distance) P-C4' energy: -24.711
flat angles C4'-P-C4' energy: -20.723
flat angles P-C4'-P energy: -12.683
tors. eta vs tors. theta energy: -12.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -193.789633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.789633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.789633 (E_RNA)
where:
Base-Base interactions energy: -116.704
where: short stacking energy: -54.619
Base-Backbone interact. energy: -0.247
local terms energy: -76.838645
where:
bonds (distance) C4'-P energy: -12.412
bonds (distance) P-C4' energy: -20.625
flat angles C4'-P-C4' energy: -18.624
flat angles P-C4'-P energy: -15.444
tors. eta vs tors. theta energy: -9.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -374.787721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.787721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.787721 (E_RNA)
where:
Base-Base interactions energy: -254.223
where: short stacking energy: -111.100
Base-Backbone interact. energy: -0.115
local terms energy: -120.449886
where:
bonds (distance) C4'-P energy: -18.620
bonds (distance) P-C4' energy: -23.587
flat angles C4'-P-C4' energy: -25.247
flat angles P-C4'-P energy: -18.326
tors. eta vs tors. theta energy: -34.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -352.989520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.989520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.989520 (E_RNA)
where:
Base-Base interactions energy: -239.673
where: short stacking energy: -105.479
Base-Backbone interact. energy: -0.600
local terms energy: -112.716684
where:
bonds (distance) C4'-P energy: -17.859
bonds (distance) P-C4' energy: -20.791
flat angles C4'-P-C4' energy: -25.686
flat angles P-C4'-P energy: -15.083
tors. eta vs tors. theta energy: -33.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -309.148256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.148256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.148256 (E_RNA)
where:
Base-Base interactions energy: -200.445
where: short stacking energy: -99.767
Base-Backbone interact. energy: -0.472
local terms energy: -108.231163
where:
bonds (distance) C4'-P energy: -19.545
bonds (distance) P-C4' energy: -23.819
flat angles C4'-P-C4' energy: -23.936
flat angles P-C4'-P energy: -15.031
tors. eta vs tors. theta energy: -25.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -276.822431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.822431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.822431 (E_RNA)
where:
Base-Base interactions energy: -177.172
where: short stacking energy: -78.449
Base-Backbone interact. energy: -0.456
local terms energy: -99.195207
where:
bonds (distance) C4'-P energy: -20.294
bonds (distance) P-C4' energy: -18.072
flat angles C4'-P-C4' energy: -26.267
flat angles P-C4'-P energy: -15.553
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: 211
Temperature: 1.100000
Total energy: -277.024733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.024733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.024733 (E_RNA)
where:
Base-Base interactions energy: -175.808
where: short stacking energy: -74.866
Base-Backbone interact. energy: -0.246
local terms energy: -100.970679
where:
bonds (distance) C4'-P energy: -21.394
bonds (distance) P-C4' energy: -21.255
flat angles C4'-P-C4' energy: -21.465
flat angles P-C4'-P energy: -15.272
tors. eta vs tors. theta energy: -21.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -261.274719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.274719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.274719 (E_RNA)
where:
Base-Base interactions energy: -164.083
where: short stacking energy: -74.526
Base-Backbone interact. energy: -0.033
local terms energy: -97.158323
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -21.440
flat angles C4'-P-C4' energy: -25.674
flat angles P-C4'-P energy: -14.387
tors. eta vs tors. theta energy: -20.544
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: 10
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -230.005468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.005468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.005468 (E_RNA)
where:
Base-Base interactions energy: -143.817
where: short stacking energy: -58.862
Base-Backbone interact. energy: -0.143
local terms energy: -86.045226
where:
bonds (distance) C4'-P energy: -23.601
bonds (distance) P-C4' energy: -19.231
flat angles C4'-P-C4' energy: -20.188
flat angles P-C4'-P energy: -11.733
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: 9
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -241.222016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.222016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.222016 (E_RNA)
where:
Base-Base interactions energy: -163.187
where: short stacking energy: -57.402
Base-Backbone interact. energy: -0.304
local terms energy: -77.730819
where:
bonds (distance) C4'-P energy: -16.787
bonds (distance) P-C4' energy: -24.707
flat angles C4'-P-C4' energy: -17.301
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: -7.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -225.542239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.542239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.542239 (E_RNA)
where:
Base-Base interactions energy: -136.718
where: short stacking energy: -53.251
Base-Backbone interact. energy: -0.195
local terms energy: -88.629527
where:
bonds (distance) C4'-P energy: -18.383
bonds (distance) P-C4' energy: -22.272
flat angles C4'-P-C4' energy: -20.149
flat angles P-C4'-P energy: -13.398
tors. eta vs tors. theta energy: -14.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -185.716849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.716849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.716849 (E_RNA)
where:
Base-Base interactions energy: -103.450
where: short stacking energy: -43.507
Base-Backbone interact. energy: -1.308
local terms energy: -80.958712
where:
bonds (distance) C4'-P energy: -26.355
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -21.990
flat angles P-C4'-P energy: -9.032
tors. eta vs tors. theta energy: -9.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -373.525014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.525014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.525014 (E_RNA)
where:
Base-Base interactions energy: -255.376
where: short stacking energy: -111.892
Base-Backbone interact. energy: -0.321
local terms energy: -117.828758
where:
bonds (distance) C4'-P energy: -22.642
bonds (distance) P-C4' energy: -22.153
flat angles C4'-P-C4' energy: -24.243
flat angles P-C4'-P energy: -14.369
tors. eta vs tors. theta energy: -34.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -356.387373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.387373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.387373 (E_RNA)
where:
Base-Base interactions energy: -239.056
where: short stacking energy: -115.194
Base-Backbone interact. energy: -0.384
local terms energy: -116.947521
where:
bonds (distance) C4'-P energy: -19.800
bonds (distance) P-C4' energy: -23.383
flat angles C4'-P-C4' energy: -22.914
flat angles P-C4'-P energy: -18.522
tors. eta vs tors. theta energy: -32.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -319.889382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.889382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.889382 (E_RNA)
where:
Base-Base interactions energy: -202.593
where: short stacking energy: -98.267
Base-Backbone interact. energy: -0.122
local terms energy: -117.174475
where:
bonds (distance) C4'-P energy: -21.072
bonds (distance) P-C4' energy: -24.327
flat angles C4'-P-C4' energy: -23.699
flat angles P-C4'-P energy: -16.899
tors. eta vs tors. theta energy: -31.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -284.206544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.206544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.206544 (E_RNA)
where:
Base-Base interactions energy: -183.061
where: short stacking energy: -86.582
Base-Backbone interact. energy: -0.167
local terms energy: -100.978586
where:
bonds (distance) C4'-P energy: -20.612
bonds (distance) P-C4' energy: -26.211
flat angles C4'-P-C4' energy: -20.130
flat angles P-C4'-P energy: -16.335
tors. eta vs tors. theta energy: -17.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -264.119361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.119361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.119361 (E_RNA)
where:
Base-Base interactions energy: -169.798
where: short stacking energy: -83.254
Base-Backbone interact. energy: -0.454
local terms energy: -93.867181
where:
bonds (distance) C4'-P energy: -22.227
bonds (distance) P-C4' energy: -19.453
flat angles C4'-P-C4' energy: -22.616
flat angles P-C4'-P energy: -11.415
tors. eta vs tors. theta energy: -18.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -264.149838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.149838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.149838 (E_RNA)
where:
Base-Base interactions energy: -157.517
where: short stacking energy: -70.135
Base-Backbone interact. energy: -0.195
local terms energy: -106.437570
where:
bonds (distance) C4'-P energy: -24.624
bonds (distance) P-C4' energy: -25.381
flat angles C4'-P-C4' energy: -22.099
flat angles P-C4'-P energy: -17.054
tors. eta vs tors. theta energy: -17.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -237.279912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.279912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.279912 (E_RNA)
where:
Base-Base interactions energy: -154.628
where: short stacking energy: -70.959
Base-Backbone interact. energy: -0.202
local terms energy: -82.449710
where:
bonds (distance) C4'-P energy: -17.624
bonds (distance) P-C4' energy: -22.634
flat angles C4'-P-C4' energy: -15.433
flat angles P-C4'-P energy: -16.105
tors. eta vs tors. theta energy: -10.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -246.213389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.213389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.213389 (E_RNA)
where:
Base-Base interactions energy: -157.422
where: short stacking energy: -73.152
Base-Backbone interact. energy: -0.460
local terms energy: -88.331599
where:
bonds (distance) C4'-P energy: -21.538
bonds (distance) P-C4' energy: -21.662
flat angles C4'-P-C4' energy: -17.545
flat angles P-C4'-P energy: -10.646
tors. eta vs tors. theta energy: -16.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -205.676426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.676426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.676426 (E_RNA)
where:
Base-Base interactions energy: -122.774
where: short stacking energy: -45.464
Base-Backbone interact. energy: -0.405
local terms energy: -82.497844
where:
bonds (distance) C4'-P energy: -23.195
bonds (distance) P-C4' energy: -20.237
flat angles C4'-P-C4' energy: -18.799
flat angles P-C4'-P energy: -16.337
tors. eta vs tors. theta energy: -3.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -209.598814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.598814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.598814 (E_RNA)
where:
Base-Base interactions energy: -139.172
where: short stacking energy: -67.034
Base-Backbone interact. energy: -0.516
local terms energy: -69.909865
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -11.970
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -12.575
tors. eta vs tors. theta energy: -14.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -373.889786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.889786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.889786 (E_RNA)
where:
Base-Base interactions energy: -247.865
where: short stacking energy: -111.522
Base-Backbone interact. energy: -0.076
local terms energy: -125.948958
where:
bonds (distance) C4'-P energy: -20.563
bonds (distance) P-C4' energy: -27.210
flat angles C4'-P-C4' energy: -27.528
flat angles P-C4'-P energy: -17.984
tors. eta vs tors. theta energy: -32.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -340.132884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.132884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.132884 (E_RNA)
where:
Base-Base interactions energy: -224.500
where: short stacking energy: -106.532
Base-Backbone interact. energy: -1.006
local terms energy: -114.627553
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -25.913
flat angles C4'-P-C4' energy: -24.448
flat angles P-C4'-P energy: -15.860
tors. eta vs tors. theta energy: -32.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -313.049643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.049643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.049643 (E_RNA)
where:
Base-Base interactions energy: -204.442
where: short stacking energy: -96.086
Base-Backbone interact. energy: -0.124
local terms energy: -108.483789
where:
bonds (distance) C4'-P energy: -18.211
bonds (distance) P-C4' energy: -25.753
flat angles C4'-P-C4' energy: -21.266
flat angles P-C4'-P energy: -16.665
tors. eta vs tors. theta energy: -26.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -279.636092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.636092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.636092 (E_RNA)
where:
Base-Base interactions energy: -175.167
where: short stacking energy: -87.617
Base-Backbone interact. energy: -0.126
local terms energy: -104.342682
where:
bonds (distance) C4'-P energy: -19.875
bonds (distance) P-C4' energy: -24.484
flat angles C4'-P-C4' energy: -21.594
flat angles P-C4'-P energy: -17.716
tors. eta vs tors. theta energy: -20.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -273.105887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.105887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.105887 (E_RNA)
where:
Base-Base interactions energy: -178.953
where: short stacking energy: -86.123
Base-Backbone interact. energy: -0.149
local terms energy: -94.004101
where:
bonds (distance) C4'-P energy: -18.992
bonds (distance) P-C4' energy: -26.236
flat angles C4'-P-C4' energy: -17.652
flat angles P-C4'-P energy: -11.909
tors. eta vs tors. theta energy: -19.216
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: 6, replica: 7
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -262.536830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.536830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.536830 (E_RNA)
where:
Base-Base interactions energy: -157.721
where: short stacking energy: -64.596
Base-Backbone interact. energy: -0.348
local terms energy: -104.467027
where:
bonds (distance) C4'-P energy: -23.521
bonds (distance) P-C4' energy: -23.347
flat angles C4'-P-C4' energy: -20.518
flat angles P-C4'-P energy: -15.903
tors. eta vs tors. theta energy: -21.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -213.709439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.709439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.709439 (E_RNA)
where:
Base-Base interactions energy: -128.694
where: short stacking energy: -61.966
Base-Backbone interact. energy: -0.373
local terms energy: -84.641973
where:
bonds (distance) C4'-P energy: -20.810
bonds (distance) P-C4' energy: -24.683
flat angles C4'-P-C4' energy: -18.313
flat angles P-C4'-P energy: -12.770
tors. eta vs tors. theta energy: -8.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -241.598065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.598065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.598065 (E_RNA)
where:
Base-Base interactions energy: -157.317
where: short stacking energy: -66.364
Base-Backbone interact. energy: -0.236
local terms energy: -84.045224
where:
bonds (distance) C4'-P energy: -18.993
bonds (distance) P-C4' energy: -22.401
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -12.187
tors. eta vs tors. theta energy: -16.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -201.894667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.894667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.894667 (E_RNA)
where:
Base-Base interactions energy: -146.872
where: short stacking energy: -59.732
Base-Backbone interact. energy: -0.499
local terms energy: -54.524547
where:
bonds (distance) C4'-P energy: -13.247
bonds (distance) P-C4' energy: -11.504
flat angles C4'-P-C4' energy: -16.767
flat angles P-C4'-P energy: -8.152
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: 10, replica: 1
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -221.293700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.293700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.293700 (E_RNA)
where:
Base-Base interactions energy: -121.207
where: short stacking energy: -62.391
Base-Backbone interact. energy: -0.180
local terms energy: -99.906841
where:
bonds (distance) C4'-P energy: -24.420
bonds (distance) P-C4' energy: -23.888
flat angles C4'-P-C4' energy: -19.389
flat angles P-C4'-P energy: -16.019
tors. eta vs tors. theta energy: -16.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -368.964099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.964099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.964099 (E_RNA)
where:
Base-Base interactions energy: -251.158
where: short stacking energy: -110.170
Base-Backbone interact. energy: -0.090
local terms energy: -117.716582
where:
bonds (distance) C4'-P energy: -23.177
bonds (distance) P-C4' energy: -22.551
flat angles C4'-P-C4' energy: -25.874
flat angles P-C4'-P energy: -12.748
tors. eta vs tors. theta energy: -33.366
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: 2, replica: 4
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -337.903764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.903764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.903764 (E_RNA)
where:
Base-Base interactions energy: -228.896
where: short stacking energy: -105.375
Base-Backbone interact. energy: -0.086
local terms energy: -108.922091
where:
bonds (distance) C4'-P energy: -21.133
bonds (distance) P-C4' energy: -21.139
flat angles C4'-P-C4' energy: -14.702
flat angles P-C4'-P energy: -21.381
tors. eta vs tors. theta energy: -30.567
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: 3, replica: 3
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -311.803090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.803090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.803090 (E_RNA)
where:
Base-Base interactions energy: -212.820
where: short stacking energy: -100.939
Base-Backbone interact. energy: -1.333
local terms energy: -97.649962
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -18.534
flat angles C4'-P-C4' energy: -25.483
flat angles P-C4'-P energy: -12.832
tors. eta vs tors. theta energy: -27.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -274.834030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.834030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.834030 (E_RNA)
where:
Base-Base interactions energy: -167.794
where: short stacking energy: -83.478
Base-Backbone interact. energy: -0.397
local terms energy: -106.642663
where:
bonds (distance) C4'-P energy: -21.519
bonds (distance) P-C4' energy: -21.264
flat angles C4'-P-C4' energy: -20.408
flat angles P-C4'-P energy: -20.501
tors. eta vs tors. theta energy: -22.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -284.895778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.895778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.895778 (E_RNA)
where:
Base-Base interactions energy: -181.320
where: short stacking energy: -86.173
Base-Backbone interact. energy: 0.610
local terms energy: -104.186107
where:
bonds (distance) C4'-P energy: -16.368
bonds (distance) P-C4' energy: -24.813
flat angles C4'-P-C4' energy: -22.914
flat angles P-C4'-P energy: -19.105
tors. eta vs tors. theta energy: -20.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -277.619015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.619015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.619015 (E_RNA)
where:
Base-Base interactions energy: -185.914
where: short stacking energy: -79.328
Base-Backbone interact. energy: -1.133
local terms energy: -90.571290
where:
bonds (distance) C4'-P energy: -21.870
bonds (distance) P-C4' energy: -12.889
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -20.234
tors. eta vs tors. theta energy: -19.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -269.145773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.145773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.145773 (E_RNA)
where:
Base-Base interactions energy: -175.334
where: short stacking energy: -96.348
Base-Backbone interact. energy: 1.301
local terms energy: -95.112338
where:
bonds (distance) C4'-P energy: -22.469
bonds (distance) P-C4' energy: -21.485
flat angles C4'-P-C4' energy: -16.330
flat angles P-C4'-P energy: -14.851
tors. eta vs tors. theta energy: -19.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -203.141959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.141959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.141959 (E_RNA)
where:
Base-Base interactions energy: -118.417
where: short stacking energy: -61.286
Base-Backbone interact. energy: -0.070
local terms energy: -84.655431
where:
bonds (distance) C4'-P energy: -21.581
bonds (distance) P-C4' energy: -21.602
flat angles C4'-P-C4' energy: -13.241
flat angles P-C4'-P energy: -13.889
tors. eta vs tors. theta energy: -14.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -203.414563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.414563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.414563 (E_RNA)
where:
Base-Base interactions energy: -130.478
where: short stacking energy: -53.124
Base-Backbone interact. energy: -0.501
local terms energy: -72.435478
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -23.133
flat angles C4'-P-C4' energy: -20.722
flat angles P-C4'-P energy: -14.148
tors. eta vs tors. theta energy: 2.584
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: 214
Temperature: 1.350000
Total energy: -215.498721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.498721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.498721 (E_RNA)
where:
Base-Base interactions energy: -141.305
where: short stacking energy: -59.676
Base-Backbone interact. energy: -0.284
local terms energy: -73.910235
where:
bonds (distance) C4'-P energy: -17.631
bonds (distance) P-C4' energy: -19.761
flat angles C4'-P-C4' energy: -20.283
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -6.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -374.313355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.313355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.313355 (E_RNA)
where:
Base-Base interactions energy: -257.175
where: short stacking energy: -115.812
Base-Backbone interact. energy: -0.267
local terms energy: -116.871196
where:
bonds (distance) C4'-P energy: -25.381
bonds (distance) P-C4' energy: -18.726
flat angles C4'-P-C4' energy: -23.098
flat angles P-C4'-P energy: -17.071
tors. eta vs tors. theta energy: -32.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -335.607601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.607601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.607601 (E_RNA)
where:
Base-Base interactions energy: -221.119
where: short stacking energy: -104.772
Base-Backbone interact. energy: -0.564
local terms energy: -113.924507
where:
bonds (distance) C4'-P energy: -23.113
bonds (distance) P-C4' energy: -23.275
flat angles C4'-P-C4' energy: -26.901
flat angles P-C4'-P energy: -15.584
tors. eta vs tors. theta energy: -25.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -313.907161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.907161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.907161 (E_RNA)
where:
Base-Base interactions energy: -196.919
where: short stacking energy: -82.390
Base-Backbone interact. energy: -1.479
local terms energy: -115.509411
where:
bonds (distance) C4'-P energy: -20.391
bonds (distance) P-C4' energy: -26.092
flat angles C4'-P-C4' energy: -22.928
flat angles P-C4'-P energy: -15.882
tors. eta vs tors. theta energy: -30.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -282.857560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.857560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.857560 (E_RNA)
where:
Base-Base interactions energy: -175.519
where: short stacking energy: -84.550
Base-Backbone interact. energy: -0.276
local terms energy: -107.062594
where:
bonds (distance) C4'-P energy: -22.016
bonds (distance) P-C4' energy: -22.952
flat angles C4'-P-C4' energy: -18.388
flat angles P-C4'-P energy: -17.414
tors. eta vs tors. theta energy: -26.292
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: 6
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -272.936377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.936377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.936377 (E_RNA)
where:
Base-Base interactions energy: -175.174
where: short stacking energy: -79.082
Base-Backbone interact. energy: -0.187
local terms energy: -97.575831
where:
bonds (distance) C4'-P energy: -23.406
bonds (distance) P-C4' energy: -25.752
flat angles C4'-P-C4' energy: -22.493
flat angles P-C4'-P energy: -11.270
tors. eta vs tors. theta energy: -14.655
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: 10
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -267.018648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.018648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.018648 (E_RNA)
where:
Base-Base interactions energy: -165.922
where: short stacking energy: -82.951
Base-Backbone interact. energy: -0.163
local terms energy: -100.933260
where:
bonds (distance) C4'-P energy: -23.302
bonds (distance) P-C4' energy: -21.589
flat angles C4'-P-C4' energy: -23.123
flat angles P-C4'-P energy: -12.670
tors. eta vs tors. theta energy: -20.249
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: 7
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -268.566711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.566711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.566711 (E_RNA)
where:
Base-Base interactions energy: -170.552
where: short stacking energy: -79.242
Base-Backbone interact. energy: -0.144
local terms energy: -97.869875
where:
bonds (distance) C4'-P energy: -18.980
bonds (distance) P-C4' energy: -22.917
flat angles C4'-P-C4' energy: -23.000
flat angles P-C4'-P energy: -13.558
tors. eta vs tors. theta energy: -19.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -208.209841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.209841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.209841 (E_RNA)
where:
Base-Base interactions energy: -122.642
where: short stacking energy: -58.511
Base-Backbone interact. energy: 2.364
local terms energy: -87.931903
where:
bonds (distance) C4'-P energy: -16.013
bonds (distance) P-C4' energy: -24.990
flat angles C4'-P-C4' energy: -20.352
flat angles P-C4'-P energy: -19.498
tors. eta vs tors. theta energy: -7.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -249.210361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.210361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.210361 (E_RNA)
where:
Base-Base interactions energy: -159.812
where: short stacking energy: -69.459
Base-Backbone interact. energy: -0.411
local terms energy: -88.987472
where:
bonds (distance) C4'-P energy: -18.356
bonds (distance) P-C4' energy: -21.922
flat angles C4'-P-C4' energy: -21.423
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -18.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -206.103660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.103660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.103660 (E_RNA)
where:
Base-Base interactions energy: -122.934
where: short stacking energy: -57.510
Base-Backbone interact. energy: -0.274
local terms energy: -82.895039
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -18.726
flat angles C4'-P-C4' energy: -21.919
flat angles P-C4'-P energy: -19.035
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: 1, replica: 5
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -371.830940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.830940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.830940 (E_RNA)
where:
Base-Base interactions energy: -252.109
where: short stacking energy: -114.292
Base-Backbone interact. energy: -0.309
local terms energy: -119.413730
where:
bonds (distance) C4'-P energy: -23.562
bonds (distance) P-C4' energy: -23.690
flat angles C4'-P-C4' energy: -25.106
flat angles P-C4'-P energy: -13.953
tors. eta vs tors. theta energy: -33.102
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: 4
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -330.568043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.568043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.568043 (E_RNA)
where:
Base-Base interactions energy: -223.902
where: short stacking energy: -102.618
Base-Backbone interact. energy: 0.125
local terms energy: -106.790944
where:
bonds (distance) C4'-P energy: -21.729
bonds (distance) P-C4' energy: -12.439
flat angles C4'-P-C4' energy: -25.558
flat angles P-C4'-P energy: -18.168
tors. eta vs tors. theta energy: -28.897
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: 3
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -286.777986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.777986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.777986 (E_RNA)
where:
Base-Base interactions energy: -199.287
where: short stacking energy: -89.605
Base-Backbone interact. energy: -1.406
local terms energy: -86.084505
where:
bonds (distance) C4'-P energy: -9.665
bonds (distance) P-C4' energy: -20.481
flat angles C4'-P-C4' energy: -21.658
flat angles P-C4'-P energy: -12.718
tors. eta vs tors. theta energy: -21.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -284.947810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.947810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.947810 (E_RNA)
where:
Base-Base interactions energy: -185.143
where: short stacking energy: -84.376
Base-Backbone interact. energy: -1.047
local terms energy: -98.757430
where:
bonds (distance) C4'-P energy: -22.984
bonds (distance) P-C4' energy: -22.630
flat angles C4'-P-C4' energy: -20.041
flat angles P-C4'-P energy: -13.267
tors. eta vs tors. theta energy: -19.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -273.325561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.325561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.325561 (E_RNA)
where:
Base-Base interactions energy: -182.880
where: short stacking energy: -75.935
Base-Backbone interact. energy: -0.270
local terms energy: -90.175407
where:
bonds (distance) C4'-P energy: -16.558
bonds (distance) P-C4' energy: -21.071
flat angles C4'-P-C4' energy: -21.121
flat angles P-C4'-P energy: -16.542
tors. eta vs tors. theta energy: -14.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -259.298400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.298400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.298400 (E_RNA)
where:
Base-Base interactions energy: -167.516
where: short stacking energy: -78.344
Base-Backbone interact. energy: -0.155
local terms energy: -91.627036
where:
bonds (distance) C4'-P energy: -12.361
bonds (distance) P-C4' energy: -20.794
flat angles C4'-P-C4' energy: -21.088
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -27.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -265.095118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.095118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.095118 (E_RNA)
where:
Base-Base interactions energy: -164.640
where: short stacking energy: -83.610
Base-Backbone interact. energy: -0.091
local terms energy: -100.363694
where:
bonds (distance) C4'-P energy: -21.402
bonds (distance) P-C4' energy: -22.861
flat angles C4'-P-C4' energy: -21.105
flat angles P-C4'-P energy: -9.123
tors. eta vs tors. theta energy: -25.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -216.077060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.077060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.077060 (E_RNA)
where:
Base-Base interactions energy: -140.209
where: short stacking energy: -49.910
Base-Backbone interact. energy: -0.408
local terms energy: -75.459342
where:
bonds (distance) C4'-P energy: -18.761
bonds (distance) P-C4' energy: -21.611
flat angles C4'-P-C4' energy: -24.091
flat angles P-C4'-P energy: -2.764
tors. eta vs tors. theta energy: -8.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -234.084255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.084255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.084255 (E_RNA)
where:
Base-Base interactions energy: -154.287
where: short stacking energy: -65.769
Base-Backbone interact. energy: -0.569
local terms energy: -79.228260
where:
bonds (distance) C4'-P energy: -17.193
bonds (distance) P-C4' energy: -21.477
flat angles C4'-P-C4' energy: -19.222
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: -11.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -227.881689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.881689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.881689 (E_RNA)
where:
Base-Base interactions energy: -141.472
where: short stacking energy: -58.861
Base-Backbone interact. energy: -0.038
local terms energy: -86.371626
where:
bonds (distance) C4'-P energy: -16.915
bonds (distance) P-C4' energy: -18.504
flat angles C4'-P-C4' energy: -21.396
flat angles P-C4'-P energy: -14.268
tors. eta vs tors. theta energy: -15.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -372.238927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.238927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.238927 (E_RNA)
where:
Base-Base interactions energy: -250.475
where: short stacking energy: -111.122
Base-Backbone interact. energy: -0.048
local terms energy: -121.715365
where:
bonds (distance) C4'-P energy: -22.444
bonds (distance) P-C4' energy: -21.675
flat angles C4'-P-C4' energy: -26.425
flat angles P-C4'-P energy: -17.513
tors. eta vs tors. theta energy: -33.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -335.891514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.891514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.891514 (E_RNA)
where:
Base-Base interactions energy: -231.272
where: short stacking energy: -86.270
Base-Backbone interact. energy: -1.484
local terms energy: -103.135320
where:
bonds (distance) C4'-P energy: -17.255
bonds (distance) P-C4' energy: -21.436
flat angles C4'-P-C4' energy: -23.244
flat angles P-C4'-P energy: -19.771
tors. eta vs tors. theta energy: -21.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -292.680038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.680038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.680038 (E_RNA)
where:
Base-Base interactions energy: -186.182
where: short stacking energy: -102.440
Base-Backbone interact. energy: -0.035
local terms energy: -106.463244
where:
bonds (distance) C4'-P energy: -17.337
bonds (distance) P-C4' energy: -22.251
flat angles C4'-P-C4' energy: -26.395
flat angles P-C4'-P energy: -16.622
tors. eta vs tors. theta energy: -23.858
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: 10
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -295.249979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.249979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.249979 (E_RNA)
where:
Base-Base interactions energy: -190.501
where: short stacking energy: -94.243
Base-Backbone interact. energy: -0.128
local terms energy: -104.620712
where:
bonds (distance) C4'-P energy: -23.834
bonds (distance) P-C4' energy: -23.284
flat angles C4'-P-C4' energy: -22.317
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -24.886
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: 2
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -273.519698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.519698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.519698 (E_RNA)
where:
Base-Base interactions energy: -176.461
where: short stacking energy: -81.975
Base-Backbone interact. energy: -0.091
local terms energy: -96.967819
where:
bonds (distance) C4'-P energy: -22.089
bonds (distance) P-C4' energy: -17.493
flat angles C4'-P-C4' energy: -20.826
flat angles P-C4'-P energy: -17.080
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: 6, replica: 7
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -264.080860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.080860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.080860 (E_RNA)
where:
Base-Base interactions energy: -162.917
where: short stacking energy: -82.792
Base-Backbone interact. energy: 0.290
local terms energy: -101.453691
where:
bonds (distance) C4'-P energy: -20.172
bonds (distance) P-C4' energy: -19.543
flat angles C4'-P-C4' energy: -23.930
flat angles P-C4'-P energy: -17.308
tors. eta vs tors. theta energy: -20.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -265.753795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.753795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.753795 (E_RNA)
where:
Base-Base interactions energy: -163.551
where: short stacking energy: -79.734
Base-Backbone interact. energy: 0.514
local terms energy: -102.716466
where:
bonds (distance) C4'-P energy: -23.798
bonds (distance) P-C4' energy: -21.379
flat angles C4'-P-C4' energy: -23.988
flat angles P-C4'-P energy: -15.834
tors. eta vs tors. theta energy: -17.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -240.314680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.314680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.314680 (E_RNA)
where:
Base-Base interactions energy: -159.870
where: short stacking energy: -74.924
Base-Backbone interact. energy: -0.217
local terms energy: -80.227740
where:
bonds (distance) C4'-P energy: -17.189
bonds (distance) P-C4' energy: -21.154
flat angles C4'-P-C4' energy: -16.698
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: -14.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -231.940051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.940051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.940051 (E_RNA)
where:
Base-Base interactions energy: -143.699
where: short stacking energy: -59.815
Base-Backbone interact. energy: -0.465
local terms energy: -87.776159
where:
bonds (distance) C4'-P energy: -22.495
bonds (distance) P-C4' energy: -22.085
flat angles C4'-P-C4' energy: -21.624
flat angles P-C4'-P energy: -11.152
tors. eta vs tors. theta energy: -10.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -209.380521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.380521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.380521 (E_RNA)
where:
Base-Base interactions energy: -125.989
where: short stacking energy: -59.866
Base-Backbone interact. energy: -0.476
local terms energy: -82.916165
where:
bonds (distance) C4'-P energy: -22.840
bonds (distance) P-C4' energy: -20.189
flat angles C4'-P-C4' energy: -17.784
flat angles P-C4'-P energy: -8.369
tors. eta vs tors. theta energy: -13.734
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: 5
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -364.584243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.584243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.584243 (E_RNA)
where:
Base-Base interactions energy: -246.607
where: short stacking energy: -109.437
Base-Backbone interact. energy: -0.507
local terms energy: -117.470763
where:
bonds (distance) C4'-P energy: -24.894
bonds (distance) P-C4' energy: -19.883
flat angles C4'-P-C4' energy: -26.043
flat angles P-C4'-P energy: -12.713
tors. eta vs tors. theta energy: -33.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -355.819983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.819983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.819983 (E_RNA)
where:
Base-Base interactions energy: -244.361
where: short stacking energy: -97.335
Base-Backbone interact. energy: -1.689
local terms energy: -109.769637
where:
bonds (distance) C4'-P energy: -21.396
bonds (distance) P-C4' energy: -21.000
flat angles C4'-P-C4' energy: -22.989
flat angles P-C4'-P energy: -14.826
tors. eta vs tors. theta energy: -29.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -306.243593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.243593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.243593 (E_RNA)
where:
Base-Base interactions energy: -190.441
where: short stacking energy: -100.712
Base-Backbone interact. energy: -0.005
local terms energy: -115.797979
where:
bonds (distance) C4'-P energy: -25.152
bonds (distance) P-C4' energy: -20.884
flat angles C4'-P-C4' energy: -21.584
flat angles P-C4'-P energy: -17.418
tors. eta vs tors. theta energy: -30.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -286.533453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.533453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.533453 (E_RNA)
where:
Base-Base interactions energy: -185.998
where: short stacking energy: -96.574
Base-Backbone interact. energy: -0.123
local terms energy: -100.412985
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -21.471
flat angles C4'-P-C4' energy: -23.246
flat angles P-C4'-P energy: -16.489
tors. eta vs tors. theta energy: -23.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -260.213425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.213425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.213425 (E_RNA)
where:
Base-Base interactions energy: -161.062
where: short stacking energy: -76.813
Base-Backbone interact. energy: -0.276
local terms energy: -98.874779
where:
bonds (distance) C4'-P energy: -23.547
bonds (distance) P-C4' energy: -18.677
flat angles C4'-P-C4' energy: -19.549
flat angles P-C4'-P energy: -18.297
tors. eta vs tors. theta energy: -18.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -268.288687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.288687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.288687 (E_RNA)
where:
Base-Base interactions energy: -182.331
where: short stacking energy: -84.577
Base-Backbone interact. energy: 0.570
local terms energy: -86.527569
where:
bonds (distance) C4'-P energy: -16.610
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -18.127
flat angles P-C4'-P energy: -12.213
tors. eta vs tors. theta energy: -25.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -267.727881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.727881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.727881 (E_RNA)
where:
Base-Base interactions energy: -178.466
where: short stacking energy: -80.688
Base-Backbone interact. energy: -0.090
local terms energy: -89.171731
where:
bonds (distance) C4'-P energy: -17.300
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -20.922
flat angles P-C4'-P energy: -14.445
tors. eta vs tors. theta energy: -19.179
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: 8, replica: 9
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -240.613458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.613458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.613458 (E_RNA)
where:
Base-Base interactions energy: -165.487
where: short stacking energy: -68.887
Base-Backbone interact. energy: -0.228
local terms energy: -74.898423
where:
bonds (distance) C4'-P energy: -15.268
bonds (distance) P-C4' energy: -17.165
flat angles C4'-P-C4' energy: -16.899
flat angles P-C4'-P energy: -11.621
tors. eta vs tors. theta energy: -13.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -253.972214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.972214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.972214 (E_RNA)
where:
Base-Base interactions energy: -163.627
where: short stacking energy: -72.275
Base-Backbone interact. energy: 1.066
local terms energy: -91.411256
where:
bonds (distance) C4'-P energy: -20.354
bonds (distance) P-C4' energy: -17.770
flat angles C4'-P-C4' energy: -18.782
flat angles P-C4'-P energy: -15.962
tors. eta vs tors. theta energy: -18.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -215.961366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.961366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.961366 (E_RNA)
where:
Base-Base interactions energy: -132.774
where: short stacking energy: -57.720
Base-Backbone interact. energy: -0.170
local terms energy: -83.018016
where:
bonds (distance) C4'-P energy: -21.648
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -20.013
flat angles P-C4'-P energy: -15.360
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: 1, replica: 5
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -365.386085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.386085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.386085 (E_RNA)
where:
Base-Base interactions energy: -246.040
where: short stacking energy: -115.036
Base-Backbone interact. energy: -0.050
local terms energy: -119.295735
where:
bonds (distance) C4'-P energy: -24.193
bonds (distance) P-C4' energy: -20.113
flat angles C4'-P-C4' energy: -23.774
flat angles P-C4'-P energy: -16.682
tors. eta vs tors. theta energy: -34.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -353.774317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.774317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.774317 (E_RNA)
where:
Base-Base interactions energy: -243.752
where: short stacking energy: -91.649
Base-Backbone interact. energy: -0.177
local terms energy: -109.845711
where:
bonds (distance) C4'-P energy: -23.236
bonds (distance) P-C4' energy: -24.315
flat angles C4'-P-C4' energy: -22.536
flat angles P-C4'-P energy: -16.168
tors. eta vs tors. theta energy: -23.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -298.336702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.336702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.336702 (E_RNA)
where:
Base-Base interactions energy: -189.453
where: short stacking energy: -88.416
Base-Backbone interact. energy: -0.646
local terms energy: -108.238378
where:
bonds (distance) C4'-P energy: -22.740
bonds (distance) P-C4' energy: -21.672
flat angles C4'-P-C4' energy: -25.737
flat angles P-C4'-P energy: -14.707
tors. eta vs tors. theta energy: -23.384
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: 3
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -290.287747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.287747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.287747 (E_RNA)
where:
Base-Base interactions energy: -184.079
where: short stacking energy: -87.718
Base-Backbone interact. energy: -0.091
local terms energy: -106.117577
where:
bonds (distance) C4'-P energy: -18.139
bonds (distance) P-C4' energy: -20.727
flat angles C4'-P-C4' energy: -22.548
flat angles P-C4'-P energy: -17.716
tors. eta vs tors. theta energy: -26.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -277.104477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.104477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.104477 (E_RNA)
where:
Base-Base interactions energy: -177.042
where: short stacking energy: -83.106
Base-Backbone interact. energy: -0.312
local terms energy: -99.751183
where:
bonds (distance) C4'-P energy: -16.575
bonds (distance) P-C4' energy: -24.971
flat angles C4'-P-C4' energy: -21.425
flat angles P-C4'-P energy: -13.738
tors. eta vs tors. theta energy: -23.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -271.433845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.433845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.433845 (E_RNA)
where:
Base-Base interactions energy: -175.523
where: short stacking energy: -81.784
Base-Backbone interact. energy: -0.032
local terms energy: -95.879275
where:
bonds (distance) C4'-P energy: -23.730
bonds (distance) P-C4' energy: -16.619
flat angles C4'-P-C4' energy: -23.490
flat angles P-C4'-P energy: -11.153
tors. eta vs tors. theta energy: -20.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -269.299960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.299960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.299960 (E_RNA)
where:
Base-Base interactions energy: -165.976
where: short stacking energy: -77.040
Base-Backbone interact. energy: -0.396
local terms energy: -102.928052
where:
bonds (distance) C4'-P energy: -22.880
bonds (distance) P-C4' energy: -21.626
flat angles C4'-P-C4' energy: -20.502
flat angles P-C4'-P energy: -14.099
tors. eta vs tors. theta energy: -23.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -251.757970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.757970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.757970 (E_RNA)
where:
Base-Base interactions energy: -169.187
where: short stacking energy: -72.369
Base-Backbone interact. energy: 0.366
local terms energy: -82.937079
where:
bonds (distance) C4'-P energy: -18.859
bonds (distance) P-C4' energy: -19.378
flat angles C4'-P-C4' energy: -15.940
flat angles P-C4'-P energy: -14.657
tors. eta vs tors. theta energy: -14.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -232.088951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.088951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.088951 (E_RNA)
where:
Base-Base interactions energy: -156.531
where: short stacking energy: -72.289
Base-Backbone interact. energy: -0.122
local terms energy: -75.435134
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -20.850
flat angles P-C4'-P energy: -11.976
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: 10, replica: 8
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -241.515451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.515451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.515451 (E_RNA)
where:
Base-Base interactions energy: -161.442
where: short stacking energy: -71.765
Base-Backbone interact. energy: -0.099
local terms energy: -79.975172
where:
bonds (distance) C4'-P energy: -21.303
bonds (distance) P-C4' energy: -14.636
flat angles C4'-P-C4' energy: -14.004
flat angles P-C4'-P energy: -15.590
tors. eta vs tors. theta energy: -14.443
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: 5
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -370.365732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.365732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.365732 (E_RNA)
where:
Base-Base interactions energy: -253.851
where: short stacking energy: -113.878
Base-Backbone interact. energy: -0.286
local terms energy: -116.229675
where:
bonds (distance) C4'-P energy: -17.255
bonds (distance) P-C4' energy: -23.364
flat angles C4'-P-C4' energy: -25.343
flat angles P-C4'-P energy: -16.103
tors. eta vs tors. theta energy: -34.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -341.795712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.795712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.795712 (E_RNA)
where:
Base-Base interactions energy: -233.358
where: short stacking energy: -93.428
Base-Backbone interact. energy: -2.501
local terms energy: -105.936343
where:
bonds (distance) C4'-P energy: -24.893
bonds (distance) P-C4' energy: -22.109
flat angles C4'-P-C4' energy: -21.079
flat angles P-C4'-P energy: -16.956
tors. eta vs tors. theta energy: -20.899
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: 3
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -284.481949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.481949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.481949 (E_RNA)
where:
Base-Base interactions energy: -179.286
where: short stacking energy: -76.452
Base-Backbone interact. energy: -0.006
local terms energy: -105.189814
where:
bonds (distance) C4'-P energy: -19.977
bonds (distance) P-C4' energy: -22.125
flat angles C4'-P-C4' energy: -25.469
flat angles P-C4'-P energy: -17.878
tors. eta vs tors. theta energy: -19.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -283.774572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.774572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.774572 (E_RNA)
where:
Base-Base interactions energy: -194.112
where: short stacking energy: -70.671
Base-Backbone interact. energy: -0.107
local terms energy: -89.556026
where:
bonds (distance) C4'-P energy: -26.520
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -22.880
flat angles P-C4'-P energy: -11.410
tors. eta vs tors. theta energy: -10.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -292.570146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.570146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.570146 (E_RNA)
where:
Base-Base interactions energy: -202.256
where: short stacking energy: -80.165
Base-Backbone interact. energy: 2.688
local terms energy: -93.002594
where:
bonds (distance) C4'-P energy: -20.711
bonds (distance) P-C4' energy: -22.284
flat angles C4'-P-C4' energy: -22.123
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -16.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -278.682489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.682489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.682489 (E_RNA)
where:
Base-Base interactions energy: -179.809
where: short stacking energy: -88.396
Base-Backbone interact. energy: -0.169
local terms energy: -98.703936
where:
bonds (distance) C4'-P energy: -22.912
bonds (distance) P-C4' energy: -18.257
flat angles C4'-P-C4' energy: -23.814
flat angles P-C4'-P energy: -12.021
tors. eta vs tors. theta energy: -21.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -255.015183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.015183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.015183 (E_RNA)
where:
Base-Base interactions energy: -169.059
where: short stacking energy: -75.832
Base-Backbone interact. energy: -0.199
local terms energy: -85.757189
where:
bonds (distance) C4'-P energy: -20.119
bonds (distance) P-C4' energy: -17.905
flat angles C4'-P-C4' energy: -18.169
flat angles P-C4'-P energy: -17.920
tors. eta vs tors. theta energy: -11.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -245.059468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.059468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.059468 (E_RNA)
where:
Base-Base interactions energy: -161.978
where: short stacking energy: -73.030
Base-Backbone interact. energy: -0.092
local terms energy: -82.989294
where:
bonds (distance) C4'-P energy: -17.443
bonds (distance) P-C4' energy: -15.668
flat angles C4'-P-C4' energy: -20.984
flat angles P-C4'-P energy: -11.944
tors. eta vs tors. theta energy: -16.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -219.027733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.027733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.027733 (E_RNA)
where:
Base-Base interactions energy: -142.926
where: short stacking energy: -58.611
Base-Backbone interact. energy: -1.510
local terms energy: -74.591917
where:
bonds (distance) C4'-P energy: -22.348
bonds (distance) P-C4' energy: -21.229
flat angles C4'-P-C4' energy: -17.519
flat angles P-C4'-P energy: -1.957
tors. eta vs tors. theta energy: -11.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -214.265062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.265062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.265062 (E_RNA)
where:
Base-Base interactions energy: -134.068
where: short stacking energy: -65.643
Base-Backbone interact. energy: -1.142
local terms energy: -79.055539
where:
bonds (distance) C4'-P energy: -18.520
bonds (distance) P-C4' energy: -19.638
flat angles C4'-P-C4' energy: -14.405
flat angles P-C4'-P energy: -12.974
tors. eta vs tors. theta energy: -13.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -375.240983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.240983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.240983 (E_RNA)
where:
Base-Base interactions energy: -255.897
where: short stacking energy: -115.559
Base-Backbone interact. energy: -0.359
local terms energy: -118.985058
where:
bonds (distance) C4'-P energy: -23.278
bonds (distance) P-C4' energy: -23.220
flat angles C4'-P-C4' energy: -23.333
flat angles P-C4'-P energy: -16.599
tors. eta vs tors. theta energy: -32.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -340.418213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.418213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.418213 (E_RNA)
where:
Base-Base interactions energy: -235.155
where: short stacking energy: -91.772
Base-Backbone interact. energy: -1.335
local terms energy: -103.928664
where:
bonds (distance) C4'-P energy: -22.244
bonds (distance) P-C4' energy: -20.127
flat angles C4'-P-C4' energy: -25.611
flat angles P-C4'-P energy: -12.285
tors. eta vs tors. theta energy: -23.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -290.350484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.350484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.350484 (E_RNA)
where:
Base-Base interactions energy: -186.094
where: short stacking energy: -84.250
Base-Backbone interact. energy: -0.618
local terms energy: -103.638556
where:
bonds (distance) C4'-P energy: -22.789
bonds (distance) P-C4' energy: -21.140
flat angles C4'-P-C4' energy: -22.684
flat angles P-C4'-P energy: -14.769
tors. eta vs tors. theta energy: -22.255
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: 6
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -299.799930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.799930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.799930 (E_RNA)
where:
Base-Base interactions energy: -195.896
where: short stacking energy: -92.548
Base-Backbone interact. energy: -1.258
local terms energy: -102.645847
where:
bonds (distance) C4'-P energy: -21.524
bonds (distance) P-C4' energy: -12.994
flat angles C4'-P-C4' energy: -21.289
flat angles P-C4'-P energy: -18.876
tors. eta vs tors. theta energy: -27.963
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: 10
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -299.982461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.982461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.982461 (E_RNA)
where:
Base-Base interactions energy: -196.492
where: short stacking energy: -95.768
Base-Backbone interact. energy: -0.218
local terms energy: -103.272584
where:
bonds (distance) C4'-P energy: -18.419
bonds (distance) P-C4' energy: -24.679
flat angles C4'-P-C4' energy: -22.551
flat angles P-C4'-P energy: -17.215
tors. eta vs tors. theta energy: -20.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -259.700698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.700698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.700698 (E_RNA)
where:
Base-Base interactions energy: -168.310
where: short stacking energy: -78.170
Base-Backbone interact. energy: 0.470
local terms energy: -91.861120
where:
bonds (distance) C4'-P energy: -18.671
bonds (distance) P-C4' energy: -24.133
flat angles C4'-P-C4' energy: -16.653
flat angles P-C4'-P energy: -12.010
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: 7, replica: 1
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -250.922335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.922335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.922335 (E_RNA)
where:
Base-Base interactions energy: -163.312
where: short stacking energy: -77.220
Base-Backbone interact. energy: -0.441
local terms energy: -87.169557
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -25.051
flat angles C4'-P-C4' energy: -24.893
flat angles P-C4'-P energy: -8.270
tors. eta vs tors. theta energy: -15.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -251.803569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.803569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.803569 (E_RNA)
where:
Base-Base interactions energy: -168.397
where: short stacking energy: -76.770
Base-Backbone interact. energy: -0.183
local terms energy: -83.223432
where:
bonds (distance) C4'-P energy: -21.916
bonds (distance) P-C4' energy: -11.715
flat angles C4'-P-C4' energy: -17.829
flat angles P-C4'-P energy: -16.530
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: 9, replica: 2
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -236.780461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.780461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.780461 (E_RNA)
where:
Base-Base interactions energy: -148.693
where: short stacking energy: -60.139
Base-Backbone interact. energy: -0.160
local terms energy: -87.926979
where:
bonds (distance) C4'-P energy: -18.923
bonds (distance) P-C4' energy: -24.537
flat angles C4'-P-C4' energy: -18.851
flat angles P-C4'-P energy: -9.121
tors. eta vs tors. theta energy: -16.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -227.120944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.120944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.120944 (E_RNA)
where:
Base-Base interactions energy: -143.697
where: short stacking energy: -60.423
Base-Backbone interact. energy: -0.356
local terms energy: -83.066958
where:
bonds (distance) C4'-P energy: -17.961
bonds (distance) P-C4' energy: -22.177
flat angles C4'-P-C4' energy: -19.054
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -15.107
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: 5
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -374.969750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.969750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.969750 (E_RNA)
where:
Base-Base interactions energy: -258.918
where: short stacking energy: -116.724
Base-Backbone interact. energy: -0.013
local terms energy: -116.039003
where:
bonds (distance) C4'-P energy: -21.209
bonds (distance) P-C4' energy: -21.297
flat angles C4'-P-C4' energy: -27.655
flat angles P-C4'-P energy: -12.860
tors. eta vs tors. theta energy: -33.018
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: 4
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -325.197481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.197481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.197481 (E_RNA)
where:
Base-Base interactions energy: -218.567
where: short stacking energy: -83.326
Base-Backbone interact. energy: -1.387
local terms energy: -105.243601
where:
bonds (distance) C4'-P energy: -21.560
bonds (distance) P-C4' energy: -20.983
flat angles C4'-P-C4' energy: -24.574
flat angles P-C4'-P energy: -18.556
tors. eta vs tors. theta energy: -19.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -297.077691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.077691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.077691 (E_RNA)
where:
Base-Base interactions energy: -186.157
where: short stacking energy: -103.352
Base-Backbone interact. energy: 0.049
local terms energy: -110.969704
where:
bonds (distance) C4'-P energy: -22.218
bonds (distance) P-C4' energy: -23.287
flat angles C4'-P-C4' energy: -25.770
flat angles P-C4'-P energy: -16.124
tors. eta vs tors. theta energy: -23.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -299.374066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.374066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.374066 (E_RNA)
where:
Base-Base interactions energy: -195.293
where: short stacking energy: -82.412
Base-Backbone interact. energy: -0.300
local terms energy: -103.781522
where:
bonds (distance) C4'-P energy: -22.004
bonds (distance) P-C4' energy: -24.151
flat angles C4'-P-C4' energy: -24.576
flat angles P-C4'-P energy: -15.192
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: 5, replica: 10
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -295.597540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.597540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.597540 (E_RNA)
where:
Base-Base interactions energy: -181.431
where: short stacking energy: -99.790
Base-Backbone interact. energy: -0.784
local terms energy: -113.382672
where:
bonds (distance) C4'-P energy: -22.802
bonds (distance) P-C4' energy: -23.109
flat angles C4'-P-C4' energy: -22.374
flat angles P-C4'-P energy: -15.660
tors. eta vs tors. theta energy: -29.437
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: 6, replica: 7
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -272.202950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.202950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.202950 (E_RNA)
where:
Base-Base interactions energy: -171.441
where: short stacking energy: -85.933
Base-Backbone interact. energy: -0.185
local terms energy: -100.577505
where:
bonds (distance) C4'-P energy: -17.114
bonds (distance) P-C4' energy: -23.179
flat angles C4'-P-C4' energy: -22.075
flat angles P-C4'-P energy: -12.705
tors. eta vs tors. theta energy: -25.505
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: 7, replica: 1
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -246.809673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.809673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.809673 (E_RNA)
where:
Base-Base interactions energy: -149.863
where: short stacking energy: -68.471
Base-Backbone interact. energy: -0.433
local terms energy: -96.514444
where:
bonds (distance) C4'-P energy: -22.370
bonds (distance) P-C4' energy: -23.137
flat angles C4'-P-C4' energy: -20.979
flat angles P-C4'-P energy: -13.876
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: 8, replica: 9
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -254.536029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.536029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.536029 (E_RNA)
where:
Base-Base interactions energy: -165.206
where: short stacking energy: -64.798
Base-Backbone interact. energy: -0.479
local terms energy: -88.851094
where:
bonds (distance) C4'-P energy: -24.593
bonds (distance) P-C4' energy: -22.241
flat angles C4'-P-C4' energy: -18.507
flat angles P-C4'-P energy: -10.734
tors. eta vs tors. theta energy: -12.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -251.830638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.830638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.830638 (E_RNA)
where:
Base-Base interactions energy: -151.312
where: short stacking energy: -67.213
Base-Backbone interact. energy: -0.145
local terms energy: -100.373467
where:
bonds (distance) C4'-P energy: -20.459
bonds (distance) P-C4' energy: -23.349
flat angles C4'-P-C4' energy: -21.586
flat angles P-C4'-P energy: -17.817
tors. eta vs tors. theta energy: -17.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -197.417250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.417250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.417250 (E_RNA)
where:
Base-Base interactions energy: -118.643
where: short stacking energy: -51.767
Base-Backbone interact. energy: -0.297
local terms energy: -78.477287
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -15.723
flat angles C4'-P-C4' energy: -18.786
flat angles P-C4'-P energy: -10.678
tors. eta vs tors. theta energy: -16.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -364.274518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.274518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.274518 (E_RNA)
where:
Base-Base interactions energy: -242.524
where: short stacking energy: -106.343
Base-Backbone interact. energy: -0.004
local terms energy: -121.747282
where:
bonds (distance) C4'-P energy: -23.606
bonds (distance) P-C4' energy: -21.340
flat angles C4'-P-C4' energy: -23.209
flat angles P-C4'-P energy: -18.145
tors. eta vs tors. theta energy: -35.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -332.243500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.243500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.243500 (E_RNA)
where:
Base-Base interactions energy: -223.698
where: short stacking energy: -88.022
Base-Backbone interact. energy: 0.049
local terms energy: -108.595137
where:
bonds (distance) C4'-P energy: -23.717
bonds (distance) P-C4' energy: -23.883
flat angles C4'-P-C4' energy: -25.991
flat angles P-C4'-P energy: -15.033
tors. eta vs tors. theta energy: -19.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -294.691615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.691615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.691615 (E_RNA)
where:
Base-Base interactions energy: -196.824
where: short stacking energy: -94.992
Base-Backbone interact. energy: -0.303
local terms energy: -97.565185
where:
bonds (distance) C4'-P energy: -19.689
bonds (distance) P-C4' energy: -21.432
flat angles C4'-P-C4' energy: -17.570
flat angles P-C4'-P energy: -14.375
tors. eta vs tors. theta energy: -24.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -279.669085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.669085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.669085 (E_RNA)
where:
Base-Base interactions energy: -188.460
where: short stacking energy: -89.631
Base-Backbone interact. energy: -0.259
local terms energy: -90.949553
where:
bonds (distance) C4'-P energy: -16.504
bonds (distance) P-C4' energy: -23.052
flat angles C4'-P-C4' energy: -23.738
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -17.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -281.549351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.549351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.549351 (E_RNA)
where:
Base-Base interactions energy: -188.701
where: short stacking energy: -81.355
Base-Backbone interact. energy: -0.181
local terms energy: -92.667886
where:
bonds (distance) C4'-P energy: -13.765
bonds (distance) P-C4' energy: -19.478
flat angles C4'-P-C4' energy: -24.531
flat angles P-C4'-P energy: -13.743
tors. eta vs tors. theta energy: -21.150
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: 223
Temperature: 1.150000
Total energy: -264.053856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.053856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.053856 (E_RNA)
where:
Base-Base interactions energy: -174.458
where: short stacking energy: -84.067
Base-Backbone interact. energy: -0.112
local terms energy: -89.482994
where:
bonds (distance) C4'-P energy: -14.278
bonds (distance) P-C4' energy: -21.131
flat angles C4'-P-C4' energy: -16.664
flat angles P-C4'-P energy: -18.894
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: 7, replica: 1
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -259.025426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.025426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.025426 (E_RNA)
where:
Base-Base interactions energy: -163.684
where: short stacking energy: -68.948
Base-Backbone interact. energy: 0.254
local terms energy: -95.596117
where:
bonds (distance) C4'-P energy: -21.167
bonds (distance) P-C4' energy: -23.337
flat angles C4'-P-C4' energy: -19.316
flat angles P-C4'-P energy: -15.986
tors. eta vs tors. theta energy: -15.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -238.004790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.004790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.004790 (E_RNA)
where:
Base-Base interactions energy: -154.400
where: short stacking energy: -66.370
Base-Backbone interact. energy: -0.438
local terms energy: -83.166857
where:
bonds (distance) C4'-P energy: -11.612
bonds (distance) P-C4' energy: -23.621
flat angles C4'-P-C4' energy: -21.041
flat angles P-C4'-P energy: -17.185
tors. eta vs tors. theta energy: -9.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -208.958311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.958311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.958311 (E_RNA)
where:
Base-Base interactions energy: -134.193
where: short stacking energy: -66.512
Base-Backbone interact. energy: -0.447
local terms energy: -74.318240
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -10.967
flat angles C4'-P-C4' energy: -16.688
flat angles P-C4'-P energy: -14.864
tors. eta vs tors. theta energy: -17.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -208.618864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.618864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.618864 (E_RNA)
where:
Base-Base interactions energy: -140.173
where: short stacking energy: -49.593
Base-Backbone interact. energy: -1.336
local terms energy: -67.110420
where:
bonds (distance) C4'-P energy: -18.927
bonds (distance) P-C4' energy: -15.352
flat angles C4'-P-C4' energy: -18.932
flat angles P-C4'-P energy: -5.375
tors. eta vs tors. theta energy: -8.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -339.473241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.473241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.473241 (E_RNA)
where:
Base-Base interactions energy: -228.708
where: short stacking energy: -101.528
Base-Backbone interact. energy: -0.436
local terms energy: -110.329201
where:
bonds (distance) C4'-P energy: -20.940
bonds (distance) P-C4' energy: -23.243
flat angles C4'-P-C4' energy: -23.828
flat angles P-C4'-P energy: -17.865
tors. eta vs tors. theta energy: -24.453
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: 5
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -353.003204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.003204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.003204 (E_RNA)
where:
Base-Base interactions energy: -230.736
where: short stacking energy: -98.563
Base-Backbone interact. energy: -0.043
local terms energy: -122.224248
where:
bonds (distance) C4'-P energy: -22.674
bonds (distance) P-C4' energy: -25.582
flat angles C4'-P-C4' energy: -24.467
flat angles P-C4'-P energy: -19.344
tors. eta vs tors. theta energy: -30.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -296.619925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.619925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.619925 (E_RNA)
where:
Base-Base interactions energy: -191.579
where: short stacking energy: -97.922
Base-Backbone interact. energy: -0.029
local terms energy: -105.012327
where:
bonds (distance) C4'-P energy: -18.327
bonds (distance) P-C4' energy: -23.750
flat angles C4'-P-C4' energy: -22.388
flat angles P-C4'-P energy: -17.216
tors. eta vs tors. theta energy: -23.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -308.016981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.016981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.016981 (E_RNA)
where:
Base-Base interactions energy: -203.907
where: short stacking energy: -99.549
Base-Backbone interact. energy: -0.298
local terms energy: -103.812414
where:
bonds (distance) C4'-P energy: -25.107
bonds (distance) P-C4' energy: -14.745
flat angles C4'-P-C4' energy: -19.910
flat angles P-C4'-P energy: -14.687
tors. eta vs tors. theta energy: -29.363
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: 5, replica: 7
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -276.770350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.770350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.770350 (E_RNA)
where:
Base-Base interactions energy: -179.288
where: short stacking energy: -79.189
Base-Backbone interact. energy: -0.125
local terms energy: -97.357341
where:
bonds (distance) C4'-P energy: -18.234
bonds (distance) P-C4' energy: -22.845
flat angles C4'-P-C4' energy: -24.203
flat angles P-C4'-P energy: -15.769
tors. eta vs tors. theta energy: -16.306
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: 3
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -266.471992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.471992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.471992 (E_RNA)
where:
Base-Base interactions energy: -165.930
where: short stacking energy: -81.801
Base-Backbone interact. energy: -0.047
local terms energy: -100.494646
where:
bonds (distance) C4'-P energy: -16.225
bonds (distance) P-C4' energy: -26.111
flat angles C4'-P-C4' energy: -23.117
flat angles P-C4'-P energy: -16.430
tors. eta vs tors. theta energy: -18.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -249.669408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.669408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.669408 (E_RNA)
where:
Base-Base interactions energy: -167.985
where: short stacking energy: -73.379
Base-Backbone interact. energy: -0.462
local terms energy: -81.222526
where:
bonds (distance) C4'-P energy: -17.800
bonds (distance) P-C4' energy: -20.438
flat angles C4'-P-C4' energy: -18.651
flat angles P-C4'-P energy: -12.741
tors. eta vs tors. theta energy: -11.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -233.584888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.584888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.584888 (E_RNA)
where:
Base-Base interactions energy: -159.334
where: short stacking energy: -67.822
Base-Backbone interact. energy: 0.837
local terms energy: -75.088313
where:
bonds (distance) C4'-P energy: -13.997
bonds (distance) P-C4' energy: -14.674
flat angles C4'-P-C4' energy: -18.469
flat angles P-C4'-P energy: -12.388
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: 9, replica: 9
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -217.176114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.176114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.176114 (E_RNA)
where:
Base-Base interactions energy: -135.335
where: short stacking energy: -63.477
Base-Backbone interact. energy: -0.382
local terms energy: -81.459248
where:
bonds (distance) C4'-P energy: -21.182
bonds (distance) P-C4' energy: -20.958
flat angles C4'-P-C4' energy: -20.703
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -8.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -202.472271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.472271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.472271 (E_RNA)
where:
Base-Base interactions energy: -122.240
where: short stacking energy: -52.240
Base-Backbone interact. energy: -0.059
local terms energy: -80.173282
where:
bonds (distance) C4'-P energy: -22.825
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -16.605
tors. eta vs tors. theta energy: -6.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -341.093184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.093184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.093184 (E_RNA)
where:
Base-Base interactions energy: -225.251
where: short stacking energy: -110.035
Base-Backbone interact. energy: -0.779
local terms energy: -115.062681
where:
bonds (distance) C4'-P energy: -19.065
bonds (distance) P-C4' energy: -26.293
flat angles C4'-P-C4' energy: -20.602
flat angles P-C4'-P energy: -16.522
tors. eta vs tors. theta energy: -32.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -357.943741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.943741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.943741 (E_RNA)
where:
Base-Base interactions energy: -237.381
where: short stacking energy: -105.763
Base-Backbone interact. energy: -0.209
local terms energy: -120.353758
where:
bonds (distance) C4'-P energy: -23.352
bonds (distance) P-C4' energy: -22.390
flat angles C4'-P-C4' energy: -26.290
flat angles P-C4'-P energy: -14.217
tors. eta vs tors. theta energy: -34.105
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: 10
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -288.145652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.145652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.145652 (E_RNA)
where:
Base-Base interactions energy: -182.293
where: short stacking energy: -90.319
Base-Backbone interact. energy: -0.150
local terms energy: -105.702625
where:
bonds (distance) C4'-P energy: -23.083
bonds (distance) P-C4' energy: -22.668
flat angles C4'-P-C4' energy: -20.886
flat angles P-C4'-P energy: -18.763
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: 4, replica: 6
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -301.884237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.884237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.884237 (E_RNA)
where:
Base-Base interactions energy: -204.713
where: short stacking energy: -111.474
Base-Backbone interact. energy: -0.017
local terms energy: -97.154149
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -18.492
flat angles C4'-P-C4' energy: -21.613
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -28.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -266.896396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.896396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.896396 (E_RNA)
where:
Base-Base interactions energy: -166.530
where: short stacking energy: -82.940
Base-Backbone interact. energy: -0.062
local terms energy: -100.304025
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -24.931
flat angles C4'-P-C4' energy: -22.646
flat angles P-C4'-P energy: -14.837
tors. eta vs tors. theta energy: -25.091
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: 3
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -256.873107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.873107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.873107 (E_RNA)
where:
Base-Base interactions energy: -160.727
where: short stacking energy: -77.833
Base-Backbone interact. energy: -0.183
local terms energy: -95.963517
where:
bonds (distance) C4'-P energy: -14.867
bonds (distance) P-C4' energy: -22.119
flat angles C4'-P-C4' energy: -19.884
flat angles P-C4'-P energy: -15.973
tors. eta vs tors. theta energy: -23.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -257.843029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.843029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.843029 (E_RNA)
where:
Base-Base interactions energy: -160.207
where: short stacking energy: -78.241
Base-Backbone interact. energy: -1.065
local terms energy: -96.571889
where:
bonds (distance) C4'-P energy: -23.097
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -24.872
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: -20.695
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: 9
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -207.283646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.283646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.283646 (E_RNA)
where:
Base-Base interactions energy: -127.883
where: short stacking energy: -58.166
Base-Backbone interact. energy: -0.134
local terms energy: -79.266448
where:
bonds (distance) C4'-P energy: -18.527
bonds (distance) P-C4' energy: -21.678
flat angles C4'-P-C4' energy: -17.668
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -10.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -223.054798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.054798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.054798 (E_RNA)
where:
Base-Base interactions energy: -131.265
where: short stacking energy: -65.882
Base-Backbone interact. energy: -0.032
local terms energy: -91.757963
where:
bonds (distance) C4'-P energy: -23.563
bonds (distance) P-C4' energy: -19.834
flat angles C4'-P-C4' energy: -24.108
flat angles P-C4'-P energy: -10.019
tors. eta vs tors. theta energy: -14.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -194.551577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.551577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.551577 (E_RNA)
where:
Base-Base interactions energy: -119.594
where: short stacking energy: -63.775
Base-Backbone interact. energy: 4.704
local terms energy: -79.662002
where:
bonds (distance) C4'-P energy: -20.046
bonds (distance) P-C4' energy: -17.527
flat angles C4'-P-C4' energy: -19.153
flat angles P-C4'-P energy: -13.792
tors. eta vs tors. theta energy: -9.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -369.534059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.534059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.534059 (E_RNA)
where:
Base-Base interactions energy: -245.813
where: short stacking energy: -112.426
Base-Backbone interact. energy: -0.014
local terms energy: -123.706915
where:
bonds (distance) C4'-P energy: -23.116
bonds (distance) P-C4' energy: -22.398
flat angles C4'-P-C4' energy: -25.241
flat angles P-C4'-P energy: -19.036
tors. eta vs tors. theta energy: -33.917
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: 2, replica: 4
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -352.820386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.820386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.820386 (E_RNA)
where:
Base-Base interactions energy: -239.882
where: short stacking energy: -103.300
Base-Backbone interact. energy: 0.470
local terms energy: -113.408753
where:
bonds (distance) C4'-P energy: -21.588
bonds (distance) P-C4' energy: -24.497
flat angles C4'-P-C4' energy: -23.931
flat angles P-C4'-P energy: -15.103
tors. eta vs tors. theta energy: -28.289
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: 6
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -295.857811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.857811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.857811 (E_RNA)
where:
Base-Base interactions energy: -195.727
where: short stacking energy: -85.207
Base-Backbone interact. energy: -0.113
local terms energy: -100.017171
where:
bonds (distance) C4'-P energy: -19.125
bonds (distance) P-C4' energy: -23.870
flat angles C4'-P-C4' energy: -18.713
flat angles P-C4'-P energy: -17.094
tors. eta vs tors. theta energy: -21.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -288.063005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.063005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.063005 (E_RNA)
where:
Base-Base interactions energy: -178.850
where: short stacking energy: -88.724
Base-Backbone interact. energy: 0.789
local terms energy: -110.002100
where:
bonds (distance) C4'-P energy: -23.456
bonds (distance) P-C4' energy: -24.085
flat angles C4'-P-C4' energy: -20.668
flat angles P-C4'-P energy: -13.373
tors. eta vs tors. theta energy: -28.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -279.340645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.340645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.340645 (E_RNA)
where:
Base-Base interactions energy: -182.242
where: short stacking energy: -81.885
Base-Backbone interact. energy: -0.302
local terms energy: -96.797044
where:
bonds (distance) C4'-P energy: -22.988
bonds (distance) P-C4' energy: -21.289
flat angles C4'-P-C4' energy: -17.723
flat angles P-C4'-P energy: -16.003
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: 6, replica: 7
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -273.128912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.128912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.128912 (E_RNA)
where:
Base-Base interactions energy: -168.517
where: short stacking energy: -83.344
Base-Backbone interact. energy: -0.008
local terms energy: -104.604276
where:
bonds (distance) C4'-P energy: -19.196
bonds (distance) P-C4' energy: -21.010
flat angles C4'-P-C4' energy: -23.972
flat angles P-C4'-P energy: -19.757
tors. eta vs tors. theta energy: -20.669
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: 1
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -255.353506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.353506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.353506 (E_RNA)
where:
Base-Base interactions energy: -164.334
where: short stacking energy: -72.949
Base-Backbone interact. energy: -0.894
local terms energy: -90.125500
where:
bonds (distance) C4'-P energy: -18.537
bonds (distance) P-C4' energy: -20.708
flat angles C4'-P-C4' energy: -19.768
flat angles P-C4'-P energy: -13.851
tors. eta vs tors. theta energy: -17.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -199.429930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.429930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.429930 (E_RNA)
where:
Base-Base interactions energy: -116.581
where: short stacking energy: -49.804
Base-Backbone interact. energy: -0.274
local terms energy: -82.575786
where:
bonds (distance) C4'-P energy: -18.314
bonds (distance) P-C4' energy: -23.100
flat angles C4'-P-C4' energy: -17.833
flat angles P-C4'-P energy: -13.666
tors. eta vs tors. theta energy: -9.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -218.688305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.688305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.688305 (E_RNA)
where:
Base-Base interactions energy: -138.481
where: short stacking energy: -55.949
Base-Backbone interact. energy: -0.692
local terms energy: -79.514656
where:
bonds (distance) C4'-P energy: -17.295
bonds (distance) P-C4' energy: -17.257
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -15.049
tors. eta vs tors. theta energy: -14.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -186.992030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.992030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.992030 (E_RNA)
where:
Base-Base interactions energy: -111.343
where: short stacking energy: -46.202
Base-Backbone interact. energy: -0.221
local terms energy: -75.427945
where:
bonds (distance) C4'-P energy: -16.200
bonds (distance) P-C4' energy: -16.577
flat angles C4'-P-C4' energy: -18.750
flat angles P-C4'-P energy: -16.466
tors. eta vs tors. theta energy: -7.436
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: 1, replica: 5
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -368.410972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.410972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.410972 (E_RNA)
where:
Base-Base interactions energy: -252.632
where: short stacking energy: -107.420
Base-Backbone interact. energy: -0.053
local terms energy: -115.726100
where:
bonds (distance) C4'-P energy: -23.340
bonds (distance) P-C4' energy: -23.875
flat angles C4'-P-C4' energy: -21.381
flat angles P-C4'-P energy: -14.657
tors. eta vs tors. theta energy: -32.472
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: 4
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -349.832021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.832021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.832021 (E_RNA)
where:
Base-Base interactions energy: -229.270
where: short stacking energy: -103.599
Base-Backbone interact. energy: -0.195
local terms energy: -120.366710
where:
bonds (distance) C4'-P energy: -21.142
bonds (distance) P-C4' energy: -23.126
flat angles C4'-P-C4' energy: -23.815
flat angles P-C4'-P energy: -19.563
tors. eta vs tors. theta energy: -32.720
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: 3, replica: 6
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -292.529153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.529153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.529153 (E_RNA)
where:
Base-Base interactions energy: -186.409
where: short stacking energy: -88.823
Base-Backbone interact. energy: -0.101
local terms energy: -106.018349
where:
bonds (distance) C4'-P energy: -23.282
bonds (distance) P-C4' energy: -21.031
flat angles C4'-P-C4' energy: -23.845
flat angles P-C4'-P energy: -12.824
tors. eta vs tors. theta energy: -25.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -273.030539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.030539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.030539 (E_RNA)
where:
Base-Base interactions energy: -176.243
where: short stacking energy: -79.154
Base-Backbone interact. energy: 1.799
local terms energy: -98.586768
where:
bonds (distance) C4'-P energy: -21.021
bonds (distance) P-C4' energy: -21.839
flat angles C4'-P-C4' energy: -23.726
flat angles P-C4'-P energy: -14.971
tors. eta vs tors. theta energy: -17.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -274.859956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.859956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.859956 (E_RNA)
where:
Base-Base interactions energy: -177.318
where: short stacking energy: -90.704
Base-Backbone interact. energy: -0.041
local terms energy: -97.501326
where:
bonds (distance) C4'-P energy: -20.587
bonds (distance) P-C4' energy: -19.744
flat angles C4'-P-C4' energy: -23.132
flat angles P-C4'-P energy: -13.152
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: 6, replica: 1
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -277.491666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.491666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.491666 (E_RNA)
where:
Base-Base interactions energy: -168.694
where: short stacking energy: -80.581
Base-Backbone interact. energy: -0.380
local terms energy: -108.417510
where:
bonds (distance) C4'-P energy: -22.077
bonds (distance) P-C4' energy: -22.481
flat angles C4'-P-C4' energy: -24.080
flat angles P-C4'-P energy: -15.456
tors. eta vs tors. theta energy: -24.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -257.609221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.609221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.609221 (E_RNA)
where:
Base-Base interactions energy: -152.591
where: short stacking energy: -72.024
Base-Backbone interact. energy: -0.515
local terms energy: -104.503545
where:
bonds (distance) C4'-P energy: -23.230
bonds (distance) P-C4' energy: -19.924
flat angles C4'-P-C4' energy: -24.879
flat angles P-C4'-P energy: -16.426
tors. eta vs tors. theta energy: -20.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -237.099764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.099764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.099764 (E_RNA)
where:
Base-Base interactions energy: -154.020
where: short stacking energy: -69.454
Base-Backbone interact. energy: -0.092
local terms energy: -82.987800
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -21.615
flat angles C4'-P-C4' energy: -17.506
flat angles P-C4'-P energy: -11.271
tors. eta vs tors. theta energy: -16.902
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: 9
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -197.724320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.724320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.724320 (E_RNA)
where:
Base-Base interactions energy: -116.439
where: short stacking energy: -56.177
Base-Backbone interact. energy: 0.090
local terms energy: -81.375072
where:
bonds (distance) C4'-P energy: -23.071
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -18.979
flat angles P-C4'-P energy: -11.405
tors. eta vs tors. theta energy: -11.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -195.724757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.724757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.724757 (E_RNA)
where:
Base-Base interactions energy: -119.873
where: short stacking energy: -59.309
Base-Backbone interact. energy: 0.447
local terms energy: -76.298540
where:
bonds (distance) C4'-P energy: -18.755
bonds (distance) P-C4' energy: -21.393
flat angles C4'-P-C4' energy: -13.843
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -11.776
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: 5
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -369.366299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.366299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.366299 (E_RNA)
where:
Base-Base interactions energy: -253.471
where: short stacking energy: -107.758
Base-Backbone interact. energy: -0.527
local terms energy: -115.369152
where:
bonds (distance) C4'-P energy: -24.276
bonds (distance) P-C4' energy: -19.250
flat angles C4'-P-C4' energy: -22.792
flat angles P-C4'-P energy: -18.940
tors. eta vs tors. theta energy: -30.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -342.352602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.352602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.352602 (E_RNA)
where:
Base-Base interactions energy: -229.561
where: short stacking energy: -108.993
Base-Backbone interact. energy: -0.354
local terms energy: -112.437707
where:
bonds (distance) C4'-P energy: -19.328
bonds (distance) P-C4' energy: -24.697
flat angles C4'-P-C4' energy: -22.476
flat angles P-C4'-P energy: -13.046
tors. eta vs tors. theta energy: -32.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -300.444697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.444697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.444697 (E_RNA)
where:
Base-Base interactions energy: -190.741
where: short stacking energy: -98.676
Base-Backbone interact. energy: -0.425
local terms energy: -109.278670
where:
bonds (distance) C4'-P energy: -21.523
bonds (distance) P-C4' energy: -19.770
flat angles C4'-P-C4' energy: -20.997
flat angles P-C4'-P energy: -14.666
tors. eta vs tors. theta energy: -32.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -276.797322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.797322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.797322 (E_RNA)
where:
Base-Base interactions energy: -184.836
where: short stacking energy: -92.237
Base-Backbone interact. energy: -0.001
local terms energy: -91.960405
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -22.502
flat angles C4'-P-C4' energy: -19.874
flat angles P-C4'-P energy: -11.475
tors. eta vs tors. theta energy: -21.973
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: 1
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -278.652228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.652228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.652228 (E_RNA)
where:
Base-Base interactions energy: -180.705
where: short stacking energy: -90.561
Base-Backbone interact. energy: -0.447
local terms energy: -97.500124
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -19.496
flat angles C4'-P-C4' energy: -21.498
flat angles P-C4'-P energy: -19.107
tors. eta vs tors. theta energy: -22.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -263.242635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.242635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.242635 (E_RNA)
where:
Base-Base interactions energy: -177.522
where: short stacking energy: -71.795
Base-Backbone interact. energy: -0.298
local terms energy: -85.422363
where:
bonds (distance) C4'-P energy: -20.363
bonds (distance) P-C4' energy: -18.801
flat angles C4'-P-C4' energy: -22.472
flat angles P-C4'-P energy: -13.945
tors. eta vs tors. theta energy: -9.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -247.343796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.343796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.343796 (E_RNA)
where:
Base-Base interactions energy: -157.945
where: short stacking energy: -81.269
Base-Backbone interact. energy: -0.017
local terms energy: -89.381803
where:
bonds (distance) C4'-P energy: -14.179
bonds (distance) P-C4' energy: -18.473
flat angles C4'-P-C4' energy: -20.632
flat angles P-C4'-P energy: -16.493
tors. eta vs tors. theta energy: -19.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -225.075864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.075864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.075864 (E_RNA)
where:
Base-Base interactions energy: -143.019
where: short stacking energy: -72.796
Base-Backbone interact. energy: -0.056
local terms energy: -82.000288
where:
bonds (distance) C4'-P energy: -22.192
bonds (distance) P-C4' energy: -21.593
flat angles C4'-P-C4' energy: -22.945
flat angles P-C4'-P energy: -6.334
tors. eta vs tors. theta energy: -8.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -199.861984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.861984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.861984 (E_RNA)
where:
Base-Base interactions energy: -127.315
where: short stacking energy: -51.889
Base-Backbone interact. energy: -1.126
local terms energy: -71.421370
where:
bonds (distance) C4'-P energy: -17.611
bonds (distance) P-C4' energy: -22.315
flat angles C4'-P-C4' energy: -17.323
flat angles P-C4'-P energy: -12.137
tors. eta vs tors. theta energy: -2.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -197.759315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.759315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.759315 (E_RNA)
where:
Base-Base interactions energy: -117.951
where: short stacking energy: -54.764
Base-Backbone interact. energy: 0.347
local terms energy: -80.155824
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -16.152
flat angles C4'-P-C4' energy: -21.636
flat angles P-C4'-P energy: -14.551
tors. eta vs tors. theta energy: -12.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -365.685191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.685191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.685191 (E_RNA)
where:
Base-Base interactions energy: -251.755
where: short stacking energy: -107.211
Base-Backbone interact. energy: -0.028
local terms energy: -113.903092
where:
bonds (distance) C4'-P energy: -20.495
bonds (distance) P-C4' energy: -16.763
flat angles C4'-P-C4' energy: -25.564
flat angles P-C4'-P energy: -16.595
tors. eta vs tors. theta energy: -34.485
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: 4
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -354.759873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.759873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.759873 (E_RNA)
where:
Base-Base interactions energy: -241.303
where: short stacking energy: -108.934
Base-Backbone interact. energy: -1.063
local terms energy: -112.393630
where:
bonds (distance) C4'-P energy: -22.898
bonds (distance) P-C4' energy: -22.729
flat angles C4'-P-C4' energy: -21.187
flat angles P-C4'-P energy: -15.336
tors. eta vs tors. theta energy: -30.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -288.296639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.296639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.296639 (E_RNA)
where:
Base-Base interactions energy: -179.750
where: short stacking energy: -87.163
Base-Backbone interact. energy: -0.117
local terms energy: -108.429084
where:
bonds (distance) C4'-P energy: -24.548
bonds (distance) P-C4' energy: -22.995
flat angles C4'-P-C4' energy: -20.571
flat angles P-C4'-P energy: -18.903
tors. eta vs tors. theta energy: -21.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -288.261184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.261184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.261184 (E_RNA)
where:
Base-Base interactions energy: -182.793
where: short stacking energy: -91.839
Base-Backbone interact. energy: 0.114
local terms energy: -105.581830
where:
bonds (distance) C4'-P energy: -20.317
bonds (distance) P-C4' energy: -22.869
flat angles C4'-P-C4' energy: -24.359
flat angles P-C4'-P energy: -17.557
tors. eta vs tors. theta energy: -20.480
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: 6
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -275.786726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.786726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.786726 (E_RNA)
where:
Base-Base interactions energy: -179.429
where: short stacking energy: -83.379
Base-Backbone interact. energy: -0.116
local terms energy: -96.241951
where:
bonds (distance) C4'-P energy: -19.266
bonds (distance) P-C4' energy: -19.997
flat angles C4'-P-C4' energy: -21.023
flat angles P-C4'-P energy: -13.502
tors. eta vs tors. theta energy: -22.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -224.233073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.233073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.233073 (E_RNA)
where:
Base-Base interactions energy: -134.407
where: short stacking energy: -64.380
Base-Backbone interact. energy: 0.557
local terms energy: -90.383195
where:
bonds (distance) C4'-P energy: -20.428
bonds (distance) P-C4' energy: -24.084
flat angles C4'-P-C4' energy: -20.232
flat angles P-C4'-P energy: -13.690
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: 229
Temperature: 1.200000
Total energy: -247.184061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.184061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.184061 (E_RNA)
where:
Base-Base interactions energy: -161.291
where: short stacking energy: -75.055
Base-Backbone interact. energy: -0.253
local terms energy: -85.639716
where:
bonds (distance) C4'-P energy: -17.900
bonds (distance) P-C4' energy: -20.176
flat angles C4'-P-C4' energy: -21.645
flat angles P-C4'-P energy: -9.129
tors. eta vs tors. theta energy: -16.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -199.881318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.881318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.881318 (E_RNA)
where:
Base-Base interactions energy: -121.102
where: short stacking energy: -61.337
Base-Backbone interact. energy: 1.098
local terms energy: -79.878162
where:
bonds (distance) C4'-P energy: -20.495
bonds (distance) P-C4' energy: -17.958
flat angles C4'-P-C4' energy: -15.618
flat angles P-C4'-P energy: -13.164
tors. eta vs tors. theta energy: -12.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -247.034123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.034123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.034123 (E_RNA)
where:
Base-Base interactions energy: -162.408
where: short stacking energy: -61.461
Base-Backbone interact. energy: -0.287
local terms energy: -84.339107
where:
bonds (distance) C4'-P energy: -21.290
bonds (distance) P-C4' energy: -16.006
flat angles C4'-P-C4' energy: -17.826
flat angles P-C4'-P energy: -12.313
tors. eta vs tors. theta energy: -16.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -201.344338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.344338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.344338 (E_RNA)
where:
Base-Base interactions energy: -122.718
where: short stacking energy: -53.727
Base-Backbone interact. energy: -0.204
local terms energy: -78.422286
where:
bonds (distance) C4'-P energy: -23.667
bonds (distance) P-C4' energy: -20.008
flat angles C4'-P-C4' energy: -18.466
flat angles P-C4'-P energy: -6.384
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: 1, replica: 5
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -375.766952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.766952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.766952 (E_RNA)
where:
Base-Base interactions energy: -247.949
where: short stacking energy: -107.894
Base-Backbone interact. energy: -0.077
local terms energy: -127.740895
where:
bonds (distance) C4'-P energy: -23.984
bonds (distance) P-C4' energy: -26.337
flat angles C4'-P-C4' energy: -26.473
flat angles P-C4'-P energy: -19.458
tors. eta vs tors. theta energy: -31.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -350.333445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.333445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.333445 (E_RNA)
where:
Base-Base interactions energy: -239.887
where: short stacking energy: -105.298
Base-Backbone interact. energy: -0.139
local terms energy: -110.307032
where:
bonds (distance) C4'-P energy: -24.933
bonds (distance) P-C4' energy: -17.976
flat angles C4'-P-C4' energy: -23.116
flat angles P-C4'-P energy: -14.292
tors. eta vs tors. theta energy: -29.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -291.402766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.402766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.402766 (E_RNA)
where:
Base-Base interactions energy: -195.501
where: short stacking energy: -92.672
Base-Backbone interact. energy: -0.397
local terms energy: -95.504572
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -20.279
flat angles C4'-P-C4' energy: -23.817
flat angles P-C4'-P energy: -13.042
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: 4, replica: 1
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -287.776341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.776341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.776341 (E_RNA)
where:
Base-Base interactions energy: -203.639
where: short stacking energy: -93.211
Base-Backbone interact. energy: 1.083
local terms energy: -85.219362
where:
bonds (distance) C4'-P energy: -14.394
bonds (distance) P-C4' energy: -16.097
flat angles C4'-P-C4' energy: -22.681
flat angles P-C4'-P energy: -7.476
tors. eta vs tors. theta energy: -24.570
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: 5, replica: 7
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -227.313580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.313580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.313580 (E_RNA)
where:
Base-Base interactions energy: -133.273
where: short stacking energy: -65.349
Base-Backbone interact. energy: -0.767
local terms energy: -93.273657
where:
bonds (distance) C4'-P energy: -16.299
bonds (distance) P-C4' energy: -21.072
flat angles C4'-P-C4' energy: -21.424
flat angles P-C4'-P energy: -19.076
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: 6, replica: 6
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -268.057172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.057172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.057172 (E_RNA)
where:
Base-Base interactions energy: -182.423
where: short stacking energy: -88.570
Base-Backbone interact. energy: -0.337
local terms energy: -85.296734
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -17.279
flat angles C4'-P-C4' energy: -17.265
flat angles P-C4'-P energy: -16.813
tors. eta vs tors. theta energy: -21.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -224.860784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.860784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.860784 (E_RNA)
where:
Base-Base interactions energy: -143.276
where: short stacking energy: -54.518
Base-Backbone interact. energy: 0.295
local terms energy: -81.879808
where:
bonds (distance) C4'-P energy: -20.741
bonds (distance) P-C4' energy: -20.123
flat angles C4'-P-C4' energy: -17.952
flat angles P-C4'-P energy: -13.096
tors. eta vs tors. theta energy: -9.969
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: 8, replica: 10
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -266.172457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.172457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.172457 (E_RNA)
where:
Base-Base interactions energy: -172.231
where: short stacking energy: -66.664
Base-Backbone interact. energy: -1.039
local terms energy: -92.902502
where:
bonds (distance) C4'-P energy: -19.975
bonds (distance) P-C4' energy: -22.377
flat angles C4'-P-C4' energy: -21.923
flat angles P-C4'-P energy: -11.587
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: 9, replica: 9
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -227.747113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.747113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.747113 (E_RNA)
where:
Base-Base interactions energy: -138.065
where: short stacking energy: -67.807
Base-Backbone interact. energy: -0.002
local terms energy: -89.680519
where:
bonds (distance) C4'-P energy: -19.552
bonds (distance) P-C4' energy: -23.962
flat angles C4'-P-C4' energy: -22.653
flat angles P-C4'-P energy: -7.867
tors. eta vs tors. theta energy: -15.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -220.944813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.944813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.944813 (E_RNA)
where:
Base-Base interactions energy: -145.461
where: short stacking energy: -62.848
Base-Backbone interact. energy: -0.177
local terms energy: -75.306832
where:
bonds (distance) C4'-P energy: -19.441
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -14.397
flat angles P-C4'-P energy: -15.019
tors. eta vs tors. theta energy: -8.920
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: 5
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -373.874595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.874595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.874595 (E_RNA)
where:
Base-Base interactions energy: -258.811
where: short stacking energy: -111.771
Base-Backbone interact. energy: -0.098
local terms energy: -114.965673
where:
bonds (distance) C4'-P energy: -20.707
bonds (distance) P-C4' energy: -23.893
flat angles C4'-P-C4' energy: -21.308
flat angles P-C4'-P energy: -14.965
tors. eta vs tors. theta energy: -34.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -361.302351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.302351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.302351 (E_RNA)
where:
Base-Base interactions energy: -249.914
where: short stacking energy: -109.521
Base-Backbone interact. energy: -0.111
local terms energy: -111.277539
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -26.608
flat angles C4'-P-C4' energy: -22.326
flat angles P-C4'-P energy: -18.095
tors. eta vs tors. theta energy: -32.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -292.537309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.537309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.537309 (E_RNA)
where:
Base-Base interactions energy: -180.749
where: short stacking energy: -82.723
Base-Backbone interact. energy: -0.973
local terms energy: -110.815050
where:
bonds (distance) C4'-P energy: -20.938
bonds (distance) P-C4' energy: -24.145
flat angles C4'-P-C4' energy: -22.775
flat angles P-C4'-P energy: -17.114
tors. eta vs tors. theta energy: -25.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -295.595913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.595913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.595913 (E_RNA)
where:
Base-Base interactions energy: -202.023
where: short stacking energy: -88.872
Base-Backbone interact. energy: -0.632
local terms energy: -92.940730
where:
bonds (distance) C4'-P energy: -20.259
bonds (distance) P-C4' energy: -18.976
flat angles C4'-P-C4' energy: -22.412
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: -19.438
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: 231
Temperature: 1.100000
Total energy: -245.957000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.957000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.957000 (E_RNA)
where:
Base-Base interactions energy: -140.947
where: short stacking energy: -73.051
Base-Backbone interact. energy: 0.250
local terms energy: -105.260594
where:
bonds (distance) C4'-P energy: -21.903
bonds (distance) P-C4' energy: -22.481
flat angles C4'-P-C4' energy: -25.294
flat angles P-C4'-P energy: -12.886
tors. eta vs tors. theta energy: -22.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -257.865434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.865434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.865434 (E_RNA)
where:
Base-Base interactions energy: -170.286
where: short stacking energy: -79.675
Base-Backbone interact. energy: -0.215
local terms energy: -87.364296
where:
bonds (distance) C4'-P energy: -17.420
bonds (distance) P-C4' energy: -16.190
flat angles C4'-P-C4' energy: -19.261
flat angles P-C4'-P energy: -12.133
tors. eta vs tors. theta energy: -22.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -232.550071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.550071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.550071 (E_RNA)
where:
Base-Base interactions energy: -149.980
where: short stacking energy: -65.244
Base-Backbone interact. energy: 0.043
local terms energy: -82.612840
where:
bonds (distance) C4'-P energy: -20.464
bonds (distance) P-C4' energy: -19.154
flat angles C4'-P-C4' energy: -19.612
flat angles P-C4'-P energy: -8.658
tors. eta vs tors. theta energy: -14.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -245.371505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.371505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.371505 (E_RNA)
where:
Base-Base interactions energy: -153.681
where: short stacking energy: -63.122
Base-Backbone interact. energy: -0.191
local terms energy: -91.499931
where:
bonds (distance) C4'-P energy: -22.271
bonds (distance) P-C4' energy: -20.839
flat angles C4'-P-C4' energy: -19.383
flat angles P-C4'-P energy: -10.212
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: 9, replica: 9
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -230.552159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.552159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.552159 (E_RNA)
where:
Base-Base interactions energy: -151.429
where: short stacking energy: -66.460
Base-Backbone interact. energy: 1.808
local terms energy: -80.931938
where:
bonds (distance) C4'-P energy: -15.881
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -20.314
flat angles P-C4'-P energy: -12.648
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: 10, replica: 8
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -188.752247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.752247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.752247 (E_RNA)
where:
Base-Base interactions energy: -120.401
where: short stacking energy: -49.388
Base-Backbone interact. energy: 0.433
local terms energy: -68.784386
where:
bonds (distance) C4'-P energy: -14.097
bonds (distance) P-C4' energy: -22.773
flat angles C4'-P-C4' energy: -12.476
flat angles P-C4'-P energy: -13.319
tors. eta vs tors. theta energy: -6.119
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: 5
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -384.476566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.476566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.476566 (E_RNA)
where:
Base-Base interactions energy: -263.958
where: short stacking energy: -109.305
Base-Backbone interact. energy: -0.765
local terms energy: -119.753560
where:
bonds (distance) C4'-P energy: -21.557
bonds (distance) P-C4' energy: -22.543
flat angles C4'-P-C4' energy: -27.829
flat angles P-C4'-P energy: -13.837
tors. eta vs tors. theta energy: -33.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -346.373640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.373640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.373640 (E_RNA)
where:
Base-Base interactions energy: -228.449
where: short stacking energy: -107.986
Base-Backbone interact. energy: -0.243
local terms energy: -117.682130
where:
bonds (distance) C4'-P energy: -24.802
bonds (distance) P-C4' energy: -22.309
flat angles C4'-P-C4' energy: -23.819
flat angles P-C4'-P energy: -15.449
tors. eta vs tors. theta energy: -31.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -297.753979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.753979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.753979 (E_RNA)
where:
Base-Base interactions energy: -198.543
where: short stacking energy: -86.400
Base-Backbone interact. energy: -0.110
local terms energy: -99.100395
where:
bonds (distance) C4'-P energy: -19.712
bonds (distance) P-C4' energy: -25.750
flat angles C4'-P-C4' energy: -19.217
flat angles P-C4'-P energy: -15.807
tors. eta vs tors. theta energy: -18.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -297.151440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.151440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.151440 (E_RNA)
where:
Base-Base interactions energy: -192.060
where: short stacking energy: -89.987
Base-Backbone interact. energy: 0.280
local terms energy: -105.371289
where:
bonds (distance) C4'-P energy: -21.264
bonds (distance) P-C4' energy: -23.932
flat angles C4'-P-C4' energy: -19.804
flat angles P-C4'-P energy: -18.657
tors. eta vs tors. theta energy: -21.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -271.309171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.309171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.309171 (E_RNA)
where:
Base-Base interactions energy: -170.398
where: short stacking energy: -80.649
Base-Backbone interact. energy: -0.057
local terms energy: -100.854883
where:
bonds (distance) C4'-P energy: -19.609
bonds (distance) P-C4' energy: -22.444
flat angles C4'-P-C4' energy: -22.176
flat angles P-C4'-P energy: -18.034
tors. eta vs tors. theta energy: -18.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -259.906770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.906770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.906770 (E_RNA)
where:
Base-Base interactions energy: -157.150
where: short stacking energy: -84.742
Base-Backbone interact. energy: 0.972
local terms energy: -103.728750
where:
bonds (distance) C4'-P energy: -22.513
bonds (distance) P-C4' energy: -19.816
flat angles C4'-P-C4' energy: -24.192
flat angles P-C4'-P energy: -17.881
tors. eta vs tors. theta energy: -19.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -252.625281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.625281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.625281 (E_RNA)
where:
Base-Base interactions energy: -164.828
where: short stacking energy: -73.545
Base-Backbone interact. energy: -0.436
local terms energy: -87.361532
where:
bonds (distance) C4'-P energy: -12.510
bonds (distance) P-C4' energy: -16.415
flat angles C4'-P-C4' energy: -25.801
flat angles P-C4'-P energy: -13.534
tors. eta vs tors. theta energy: -19.102
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: 2
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -220.095909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.095909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.095909 (E_RNA)
where:
Base-Base interactions energy: -131.069
where: short stacking energy: -57.136
Base-Backbone interact. energy: -0.323
local terms energy: -88.703230
where:
bonds (distance) C4'-P energy: -18.090
bonds (distance) P-C4' energy: -26.801
flat angles C4'-P-C4' energy: -20.448
flat angles P-C4'-P energy: -14.708
tors. eta vs tors. theta energy: -8.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -227.690479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.690479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.690479 (E_RNA)
where:
Base-Base interactions energy: -135.244
where: short stacking energy: -63.467
Base-Backbone interact. energy: -0.178
local terms energy: -92.268446
where:
bonds (distance) C4'-P energy: -22.306
bonds (distance) P-C4' energy: -16.577
flat angles C4'-P-C4' energy: -17.872
flat angles P-C4'-P energy: -16.949
tors. eta vs tors. theta energy: -18.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -186.170351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.170351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.170351 (E_RNA)
where:
Base-Base interactions energy: -107.073
where: short stacking energy: -61.345
Base-Backbone interact. energy: -0.589
local terms energy: -78.508540
where:
bonds (distance) C4'-P energy: -18.057
bonds (distance) P-C4' energy: -19.954
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -10.212
tors. eta vs tors. theta energy: -13.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -371.022670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.022670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.022670 (E_RNA)
where:
Base-Base interactions energy: -255.686
where: short stacking energy: -109.561
Base-Backbone interact. energy: 1.024
local terms energy: -116.360905
where:
bonds (distance) C4'-P energy: -23.766
bonds (distance) P-C4' energy: -22.567
flat angles C4'-P-C4' energy: -20.977
flat angles P-C4'-P energy: -15.487
tors. eta vs tors. theta energy: -33.563
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: 4
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -348.287489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.287489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.287489 (E_RNA)
where:
Base-Base interactions energy: -234.827
where: short stacking energy: -116.596
Base-Backbone interact. energy: -0.033
local terms energy: -113.427219
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -20.146
flat angles C4'-P-C4' energy: -26.322
flat angles P-C4'-P energy: -16.279
tors. eta vs tors. theta energy: -34.386
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: 3, replica: 3
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -283.032192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.032192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.032192 (E_RNA)
where:
Base-Base interactions energy: -187.281
where: short stacking energy: -92.388
Base-Backbone interact. energy: -0.070
local terms energy: -95.680489
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -18.821
flat angles C4'-P-C4' energy: -23.909
flat angles P-C4'-P energy: -18.000
tors. eta vs tors. theta energy: -21.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -309.111862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.111862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.111862 (E_RNA)
where:
Base-Base interactions energy: -214.336
where: short stacking energy: -79.031
Base-Backbone interact. energy: -0.648
local terms energy: -94.128005
where:
bonds (distance) C4'-P energy: -20.646
bonds (distance) P-C4' energy: -21.403
flat angles C4'-P-C4' energy: -22.315
flat angles P-C4'-P energy: -12.225
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: 6
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -259.613350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.613350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.613350 (E_RNA)
where:
Base-Base interactions energy: -161.919
where: short stacking energy: -82.946
Base-Backbone interact. energy: -0.324
local terms energy: -97.370488
where:
bonds (distance) C4'-P energy: -20.863
bonds (distance) P-C4' energy: -22.304
flat angles C4'-P-C4' energy: -23.119
flat angles P-C4'-P energy: -14.101
tors. eta vs tors. theta energy: -16.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -261.792982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.792982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.792982 (E_RNA)
where:
Base-Base interactions energy: -174.161
where: short stacking energy: -89.451
Base-Backbone interact. energy: -0.117
local terms energy: -87.514410
where:
bonds (distance) C4'-P energy: -12.412
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -22.450
flat angles P-C4'-P energy: -13.801
tors. eta vs tors. theta energy: -20.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -256.720668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.720668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.720668 (E_RNA)
where:
Base-Base interactions energy: -175.459
where: short stacking energy: -72.648
Base-Backbone interact. energy: 1.248
local terms energy: -82.510073
where:
bonds (distance) C4'-P energy: -19.860
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -16.884
flat angles P-C4'-P energy: -13.832
tors. eta vs tors. theta energy: -18.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -249.521433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.521433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.521433 (E_RNA)
where:
Base-Base interactions energy: -150.230
where: short stacking energy: -69.659
Base-Backbone interact. energy: -0.173
local terms energy: -99.118613
where:
bonds (distance) C4'-P energy: -22.893
bonds (distance) P-C4' energy: -23.542
flat angles C4'-P-C4' energy: -18.515
flat angles P-C4'-P energy: -13.771
tors. eta vs tors. theta energy: -20.398
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: 2
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -196.462655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.462655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.462655 (E_RNA)
where:
Base-Base interactions energy: -117.319
where: short stacking energy: -60.200
Base-Backbone interact. energy: 0.838
local terms energy: -79.981069
where:
bonds (distance) C4'-P energy: -13.997
bonds (distance) P-C4' energy: -19.821
flat angles C4'-P-C4' energy: -19.997
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -15.777
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: 10, replica: 8
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -192.160762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.160762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.160762 (E_RNA)
where:
Base-Base interactions energy: -121.388
where: short stacking energy: -63.510
Base-Backbone interact. energy: 0.131
local terms energy: -70.904004
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -21.397
flat angles C4'-P-C4' energy: -17.829
flat angles P-C4'-P energy: -8.147
tors. eta vs tors. theta energy: -7.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -377.885515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.885515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.885515 (E_RNA)
where:
Base-Base interactions energy: -254.954
where: short stacking energy: -115.352
Base-Backbone interact. energy: -0.757
local terms energy: -122.174343
where:
bonds (distance) C4'-P energy: -23.440
bonds (distance) P-C4' energy: -25.591
flat angles C4'-P-C4' energy: -21.090
flat angles P-C4'-P energy: -17.903
tors. eta vs tors. theta energy: -34.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -340.361687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.361687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.361687 (E_RNA)
where:
Base-Base interactions energy: -228.446
where: short stacking energy: -94.330
Base-Backbone interact. energy: -0.416
local terms energy: -111.499776
where:
bonds (distance) C4'-P energy: -22.293
bonds (distance) P-C4' energy: -19.616
flat angles C4'-P-C4' energy: -25.543
flat angles P-C4'-P energy: -15.915
tors. eta vs tors. theta energy: -28.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -337.106585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.106585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.106585 (E_RNA)
where:
Base-Base interactions energy: -228.847
where: short stacking energy: -114.173
Base-Backbone interact. energy: -0.057
local terms energy: -108.202448
where:
bonds (distance) C4'-P energy: -13.957
bonds (distance) P-C4' energy: -20.045
flat angles C4'-P-C4' energy: -24.691
flat angles P-C4'-P energy: -18.275
tors. eta vs tors. theta energy: -31.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -287.867670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.867670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.867670 (E_RNA)
where:
Base-Base interactions energy: -191.859
where: short stacking energy: -93.384
Base-Backbone interact. energy: -0.036
local terms energy: -95.972569
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -18.466
flat angles P-C4'-P energy: -18.253
tors. eta vs tors. theta energy: -25.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -268.096656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.096656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.096656 (E_RNA)
where:
Base-Base interactions energy: -161.158
where: short stacking energy: -70.027
Base-Backbone interact. energy: -0.261
local terms energy: -106.678149
where:
bonds (distance) C4'-P energy: -18.781
bonds (distance) P-C4' energy: -24.532
flat angles C4'-P-C4' energy: -23.566
flat angles P-C4'-P energy: -21.462
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: 6, replica: 6
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -273.208039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.208039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.208039 (E_RNA)
where:
Base-Base interactions energy: -177.699
where: short stacking energy: -83.402
Base-Backbone interact. energy: 0.296
local terms energy: -95.804373
where:
bonds (distance) C4'-P energy: -16.795
bonds (distance) P-C4' energy: -19.647
flat angles C4'-P-C4' energy: -21.031
flat angles P-C4'-P energy: -17.943
tors. eta vs tors. theta energy: -20.388
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: 7, replica: 9
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -257.791720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.791720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.791720 (E_RNA)
where:
Base-Base interactions energy: -160.460
where: short stacking energy: -79.775
Base-Backbone interact. energy: -0.339
local terms energy: -96.992845
where:
bonds (distance) C4'-P energy: -21.556
bonds (distance) P-C4' energy: -17.739
flat angles C4'-P-C4' energy: -25.583
flat angles P-C4'-P energy: -13.425
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: 8, replica: 7
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -242.179462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.179462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.179462 (E_RNA)
where:
Base-Base interactions energy: -154.535
where: short stacking energy: -67.678
Base-Backbone interact. energy: -0.226
local terms energy: -87.417979
where:
bonds (distance) C4'-P energy: -21.382
bonds (distance) P-C4' energy: -21.507
flat angles C4'-P-C4' energy: -17.781
flat angles P-C4'-P energy: -12.896
tors. eta vs tors. theta energy: -13.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -198.587313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.587313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.587313 (E_RNA)
where:
Base-Base interactions energy: -112.063
where: short stacking energy: -57.853
Base-Backbone interact. energy: -0.489
local terms energy: -86.034474
where:
bonds (distance) C4'-P energy: -20.025
bonds (distance) P-C4' energy: -22.553
flat angles C4'-P-C4' energy: -17.938
flat angles P-C4'-P energy: -15.729
tors. eta vs tors. theta energy: -9.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -189.131045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.131045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.131045 (E_RNA)
where:
Base-Base interactions energy: -115.147
where: short stacking energy: -50.807
Base-Backbone interact. energy: -0.670
local terms energy: -73.314627
where:
bonds (distance) C4'-P energy: -13.947
bonds (distance) P-C4' energy: -23.973
flat angles C4'-P-C4' energy: -16.535
flat angles P-C4'-P energy: -12.089
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: 1, replica: 5
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -367.753436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.753436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.753436 (E_RNA)
where:
Base-Base interactions energy: -259.687
where: short stacking energy: -109.181
Base-Backbone interact. energy: -0.153
local terms energy: -107.913364
where:
bonds (distance) C4'-P energy: -16.600
bonds (distance) P-C4' energy: -19.927
flat angles C4'-P-C4' energy: -23.467
flat angles P-C4'-P energy: -14.877
tors. eta vs tors. theta energy: -33.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -344.135576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.135576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.135576 (E_RNA)
where:
Base-Base interactions energy: -228.115
where: short stacking energy: -106.298
Base-Backbone interact. energy: -0.165
local terms energy: -115.855830
where:
bonds (distance) C4'-P energy: -19.624
bonds (distance) P-C4' energy: -24.106
flat angles C4'-P-C4' energy: -19.815
flat angles P-C4'-P energy: -17.316
tors. eta vs tors. theta energy: -34.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -334.390015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.390015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.390015 (E_RNA)
where:
Base-Base interactions energy: -233.629
where: short stacking energy: -90.408
Base-Backbone interact. energy: -0.751
local terms energy: -100.009947
where:
bonds (distance) C4'-P energy: -27.381
bonds (distance) P-C4' energy: -21.603
flat angles C4'-P-C4' energy: -19.545
flat angles P-C4'-P energy: -11.530
tors. eta vs tors. theta energy: -19.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -278.011761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.011761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.011761 (E_RNA)
where:
Base-Base interactions energy: -172.051
where: short stacking energy: -88.146
Base-Backbone interact. energy: -0.111
local terms energy: -105.849176
where:
bonds (distance) C4'-P energy: -24.695
bonds (distance) P-C4' energy: -20.040
flat angles C4'-P-C4' energy: -25.966
flat angles P-C4'-P energy: -16.108
tors. eta vs tors. theta energy: -19.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -293.342862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.342862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.342862 (E_RNA)
where:
Base-Base interactions energy: -190.455
where: short stacking energy: -88.664
Base-Backbone interact. energy: 3.091
local terms energy: -105.978865
where:
bonds (distance) C4'-P energy: -21.399
bonds (distance) P-C4' energy: -21.530
flat angles C4'-P-C4' energy: -25.200
flat angles P-C4'-P energy: -12.136
tors. eta vs tors. theta energy: -25.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -279.905331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.905331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.905331 (E_RNA)
where:
Base-Base interactions energy: -176.812
where: short stacking energy: -84.864
Base-Backbone interact. energy: -0.154
local terms energy: -102.938943
where:
bonds (distance) C4'-P energy: -22.516
bonds (distance) P-C4' energy: -24.650
flat angles C4'-P-C4' energy: -20.355
flat angles P-C4'-P energy: -13.661
tors. eta vs tors. theta energy: -21.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -282.234046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.234046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.234046 (E_RNA)
where:
Base-Base interactions energy: -177.965
where: short stacking energy: -94.234
Base-Backbone interact. energy: -0.179
local terms energy: -104.090190
where:
bonds (distance) C4'-P energy: -21.788
bonds (distance) P-C4' energy: -18.395
flat angles C4'-P-C4' energy: -22.096
flat angles P-C4'-P energy: -12.967
tors. eta vs tors. theta energy: -28.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -236.602242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.602242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.602242 (E_RNA)
where:
Base-Base interactions energy: -144.962
where: short stacking energy: -68.636
Base-Backbone interact. energy: -0.137
local terms energy: -91.503312
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -23.228
flat angles C4'-P-C4' energy: -19.791
flat angles P-C4'-P energy: -18.186
tors. eta vs tors. theta energy: -15.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -188.717156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.717156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.717156 (E_RNA)
where:
Base-Base interactions energy: -120.290
where: short stacking energy: -57.468
Base-Backbone interact. energy: 1.385
local terms energy: -69.812314
where:
bonds (distance) C4'-P energy: -17.929
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -22.805
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -5.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -222.104558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.104558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.104558 (E_RNA)
where:
Base-Base interactions energy: -134.417
where: short stacking energy: -73.481
Base-Backbone interact. energy: -0.318
local terms energy: -87.370519
where:
bonds (distance) C4'-P energy: -18.770
bonds (distance) P-C4' energy: -12.776
flat angles C4'-P-C4' energy: -23.037
flat angles P-C4'-P energy: -14.119
tors. eta vs tors. theta energy: -18.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -351.656887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.656887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.656887 (E_RNA)
where:
Base-Base interactions energy: -233.860
where: short stacking energy: -110.848
Base-Backbone interact. energy: -0.201
local terms energy: -117.595772
where:
bonds (distance) C4'-P energy: -22.095
bonds (distance) P-C4' energy: -18.812
flat angles C4'-P-C4' energy: -25.920
flat angles P-C4'-P energy: -18.635
tors. eta vs tors. theta energy: -32.133
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: 5
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -364.303357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.303357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.303357 (E_RNA)
where:
Base-Base interactions energy: -242.206
where: short stacking energy: -109.497
Base-Backbone interact. energy: 0.791
local terms energy: -122.888471
where:
bonds (distance) C4'-P energy: -22.205
bonds (distance) P-C4' energy: -23.541
flat angles C4'-P-C4' energy: -25.823
flat angles P-C4'-P energy: -19.278
tors. eta vs tors. theta energy: -32.042
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: 4
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -338.634715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.634715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.634715 (E_RNA)
where:
Base-Base interactions energy: -235.638
where: short stacking energy: -104.306
Base-Backbone interact. energy: -0.178
local terms energy: -102.819176
where:
bonds (distance) C4'-P energy: -22.827
bonds (distance) P-C4' energy: -20.404
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -15.013
tors. eta vs tors. theta energy: -29.468
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: 4, replica: 10
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -283.358773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.358773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.358773 (E_RNA)
where:
Base-Base interactions energy: -169.791
where: short stacking energy: -94.927
Base-Backbone interact. energy: 0.711
local terms energy: -114.278192
where:
bonds (distance) C4'-P energy: -21.761
bonds (distance) P-C4' energy: -23.098
flat angles C4'-P-C4' energy: -26.522
flat angles P-C4'-P energy: -15.903
tors. eta vs tors. theta energy: -26.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -263.127183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.127183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.127183 (E_RNA)
where:
Base-Base interactions energy: -165.669
where: short stacking energy: -73.464
Base-Backbone interact. energy: 0.495
local terms energy: -97.953383
where:
bonds (distance) C4'-P energy: -21.428
bonds (distance) P-C4' energy: -23.451
flat angles C4'-P-C4' energy: -19.947
flat angles P-C4'-P energy: -12.596
tors. eta vs tors. theta energy: -20.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -257.171387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.171387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.171387 (E_RNA)
where:
Base-Base interactions energy: -148.016
where: short stacking energy: -76.852
Base-Backbone interact. energy: -0.727
local terms energy: -108.427927
where:
bonds (distance) C4'-P energy: -17.892
bonds (distance) P-C4' energy: -25.727
flat angles C4'-P-C4' energy: -22.585
flat angles P-C4'-P energy: -17.825
tors. eta vs tors. theta energy: -24.398
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: 6
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -275.572819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.572819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.572819 (E_RNA)
where:
Base-Base interactions energy: -178.969
where: short stacking energy: -86.938
Base-Backbone interact. energy: 1.109
local terms energy: -97.713162
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -15.844
flat angles C4'-P-C4' energy: -22.510
flat angles P-C4'-P energy: -17.600
tors. eta vs tors. theta energy: -26.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -245.139218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.139218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.139218 (E_RNA)
where:
Base-Base interactions energy: -155.855
where: short stacking energy: -75.458
Base-Backbone interact. energy: 3.086
local terms energy: -92.370968
where:
bonds (distance) C4'-P energy: -14.154
bonds (distance) P-C4' energy: -25.044
flat angles C4'-P-C4' energy: -21.192
flat angles P-C4'-P energy: -10.572
tors. eta vs tors. theta energy: -21.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -198.091477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.091477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.091477 (E_RNA)
where:
Base-Base interactions energy: -116.234
where: short stacking energy: -56.999
Base-Backbone interact. energy: 0.007
local terms energy: -81.864552
where:
bonds (distance) C4'-P energy: -22.498
bonds (distance) P-C4' energy: -19.865
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -14.658
tors. eta vs tors. theta energy: -8.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -183.074095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.074095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.074095 (E_RNA)
where:
Base-Base interactions energy: -107.978
where: short stacking energy: -54.546
Base-Backbone interact. energy: -0.861
local terms energy: -74.234963
where:
bonds (distance) C4'-P energy: -17.792
bonds (distance) P-C4' energy: -20.691
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -15.174
tors. eta vs tors. theta energy: -5.320
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: 1
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -357.520773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.520773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.520773 (E_RNA)
where:
Base-Base interactions energy: -247.000
where: short stacking energy: -114.883
Base-Backbone interact. energy: -0.451
local terms energy: -110.069963
where:
bonds (distance) C4'-P energy: -24.358
bonds (distance) P-C4' energy: -20.212
flat angles C4'-P-C4' energy: -22.861
flat angles P-C4'-P energy: -13.296
tors. eta vs tors. theta energy: -29.343
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: 5
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -368.235423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.235423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.235423 (E_RNA)
where:
Base-Base interactions energy: -245.327
where: short stacking energy: -114.692
Base-Backbone interact. energy: -0.058
local terms energy: -122.850734
where:
bonds (distance) C4'-P energy: -24.649
bonds (distance) P-C4' energy: -20.706
flat angles C4'-P-C4' energy: -23.788
flat angles P-C4'-P energy: -19.578
tors. eta vs tors. theta energy: -34.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -325.751302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.751302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.751302 (E_RNA)
where:
Base-Base interactions energy: -222.186
where: short stacking energy: -104.181
Base-Backbone interact. energy: -0.181
local terms energy: -103.384111
where:
bonds (distance) C4'-P energy: -11.144
bonds (distance) P-C4' energy: -19.880
flat angles C4'-P-C4' energy: -17.744
flat angles P-C4'-P energy: -20.094
tors. eta vs tors. theta energy: -34.522
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: 9
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -276.457866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.457866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.457866 (E_RNA)
where:
Base-Base interactions energy: -167.658
where: short stacking energy: -83.298
Base-Backbone interact. energy: -0.270
local terms energy: -108.529667
where:
bonds (distance) C4'-P energy: -21.580
bonds (distance) P-C4' energy: -20.732
flat angles C4'-P-C4' energy: -25.153
flat angles P-C4'-P energy: -16.272
tors. eta vs tors. theta energy: -24.792
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: 5, replica: 10
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -284.797289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.797289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.797289 (E_RNA)
where:
Base-Base interactions energy: -177.999
where: short stacking energy: -85.969
Base-Backbone interact. energy: -0.831
local terms energy: -105.966972
where:
bonds (distance) C4'-P energy: -17.027
bonds (distance) P-C4' energy: -25.427
flat angles C4'-P-C4' energy: -21.511
flat angles P-C4'-P energy: -17.280
tors. eta vs tors. theta energy: -24.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -266.634771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.634771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.634771 (E_RNA)
where:
Base-Base interactions energy: -169.776
where: short stacking energy: -77.122
Base-Backbone interact. energy: -0.159
local terms energy: -96.700322
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -21.193
flat angles C4'-P-C4' energy: -20.478
flat angles P-C4'-P energy: -18.013
tors. eta vs tors. theta energy: -24.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -278.757368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.757368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.757368 (E_RNA)
where:
Base-Base interactions energy: -166.489
where: short stacking energy: -78.744
Base-Backbone interact. energy: -0.032
local terms energy: -112.235615
where:
bonds (distance) C4'-P energy: -25.895
bonds (distance) P-C4' energy: -24.826
flat angles C4'-P-C4' energy: -24.694
flat angles P-C4'-P energy: -13.735
tors. eta vs tors. theta energy: -23.087
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: 7
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -247.140188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.140188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.140188 (E_RNA)
where:
Base-Base interactions energy: -158.166
where: short stacking energy: -63.925
Base-Backbone interact. energy: -0.110
local terms energy: -88.864398
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -22.250
flat angles C4'-P-C4' energy: -19.789
flat angles P-C4'-P energy: -15.085
tors. eta vs tors. theta energy: -18.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -257.792231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.792231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.792231 (E_RNA)
where:
Base-Base interactions energy: -166.689
where: short stacking energy: -78.977
Base-Backbone interact. energy: -0.280
local terms energy: -90.823341
where:
bonds (distance) C4'-P energy: -24.736
bonds (distance) P-C4' energy: -16.695
flat angles C4'-P-C4' energy: -19.395
flat angles P-C4'-P energy: -16.554
tors. eta vs tors. theta energy: -13.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -186.019318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.019318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.019318 (E_RNA)
where:
Base-Base interactions energy: -108.145
where: short stacking energy: -47.535
Base-Backbone interact. energy: -0.469
local terms energy: -77.405481
where:
bonds (distance) C4'-P energy: -18.088
bonds (distance) P-C4' energy: -23.729
flat angles C4'-P-C4' energy: -18.405
flat angles P-C4'-P energy: -11.359
tors. eta vs tors. theta energy: -5.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -368.029118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.029118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.029118 (E_RNA)
where:
Base-Base interactions energy: -246.598
where: short stacking energy: -106.914
Base-Backbone interact. energy: -0.022
local terms energy: -121.409102
where:
bonds (distance) C4'-P energy: -25.000
bonds (distance) P-C4' energy: -24.902
flat angles C4'-P-C4' energy: -23.927
flat angles P-C4'-P energy: -15.952
tors. eta vs tors. theta energy: -31.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -350.126894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.126894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.126894 (E_RNA)
where:
Base-Base interactions energy: -230.693
where: short stacking energy: -100.519
Base-Backbone interact. energy: 0.559
local terms energy: -119.993656
where:
bonds (distance) C4'-P energy: -23.784
bonds (distance) P-C4' energy: -25.807
flat angles C4'-P-C4' energy: -25.118
flat angles P-C4'-P energy: -17.235
tors. eta vs tors. theta energy: -28.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -335.784113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.784113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.784113 (E_RNA)
where:
Base-Base interactions energy: -215.863
where: short stacking energy: -99.795
Base-Backbone interact. energy: -0.096
local terms energy: -119.824443
where:
bonds (distance) C4'-P energy: -23.017
bonds (distance) P-C4' energy: -24.717
flat angles C4'-P-C4' energy: -20.491
flat angles P-C4'-P energy: -21.128
tors. eta vs tors. theta energy: -30.471
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: 9
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -276.621083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.621083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.621083 (E_RNA)
where:
Base-Base interactions energy: -178.804
where: short stacking energy: -82.641
Base-Backbone interact. energy: -0.694
local terms energy: -97.123761
where:
bonds (distance) C4'-P energy: -24.018
bonds (distance) P-C4' energy: -22.071
flat angles C4'-P-C4' energy: -18.054
flat angles P-C4'-P energy: -16.906
tors. eta vs tors. theta energy: -16.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -275.152192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.152192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.152192 (E_RNA)
where:
Base-Base interactions energy: -174.712
where: short stacking energy: -79.404
Base-Backbone interact. energy: -0.574
local terms energy: -99.865534
where:
bonds (distance) C4'-P energy: -24.571
bonds (distance) P-C4' energy: -25.032
flat angles C4'-P-C4' energy: -21.947
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -19.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -264.944618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.944618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.944618 (E_RNA)
where:
Base-Base interactions energy: -152.077
where: short stacking energy: -75.304
Base-Backbone interact. energy: -0.130
local terms energy: -112.738518
where:
bonds (distance) C4'-P energy: -25.955
bonds (distance) P-C4' energy: -27.470
flat angles C4'-P-C4' energy: -23.526
flat angles P-C4'-P energy: -13.114
tors. eta vs tors. theta energy: -22.673
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: 238
Temperature: 1.200000
Total energy: -263.527556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.527556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.527556 (E_RNA)
where:
Base-Base interactions energy: -167.962
where: short stacking energy: -90.586
Base-Backbone interact. energy: -0.090
local terms energy: -95.475853
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -21.711
flat angles C4'-P-C4' energy: -24.840
flat angles P-C4'-P energy: -12.507
tors. eta vs tors. theta energy: -21.377
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: 7
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -255.898655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.898655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.898655 (E_RNA)
where:
Base-Base interactions energy: -158.386
where: short stacking energy: -73.816
Base-Backbone interact. energy: 0.017
local terms energy: -97.529544
where:
bonds (distance) C4'-P energy: -17.333
bonds (distance) P-C4' energy: -20.815
flat angles C4'-P-C4' energy: -23.594
flat angles P-C4'-P energy: -14.434
tors. eta vs tors. theta energy: -21.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -233.075770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.075770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.075770 (E_RNA)
where:
Base-Base interactions energy: -150.751
where: short stacking energy: -66.907
Base-Backbone interact. energy: -0.547
local terms energy: -81.778395
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -20.316
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -15.745
tors. eta vs tors. theta energy: -15.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -184.026407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.026407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.026407 (E_RNA)
where:
Base-Base interactions energy: -118.203
where: short stacking energy: -54.189
Base-Backbone interact. energy: 0.798
local terms energy: -66.621544
where:
bonds (distance) C4'-P energy: -16.651
bonds (distance) P-C4' energy: -17.089
flat angles C4'-P-C4' energy: -19.349
flat angles P-C4'-P energy: -5.766
tors. eta vs tors. theta energy: -7.767
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: 5
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -370.525568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.525568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.525568 (E_RNA)
where:
Base-Base interactions energy: -252.833
where: short stacking energy: -115.619
Base-Backbone interact. energy: -0.162
local terms energy: -117.530083
where:
bonds (distance) C4'-P energy: -21.109
bonds (distance) P-C4' energy: -24.380
flat angles C4'-P-C4' energy: -27.350
flat angles P-C4'-P energy: -10.177
tors. eta vs tors. theta energy: -34.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -350.465797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.465797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.465797 (E_RNA)
where:
Base-Base interactions energy: -237.300
where: short stacking energy: -99.851
Base-Backbone interact. energy: -0.290
local terms energy: -112.876158
where:
bonds (distance) C4'-P energy: -23.829
bonds (distance) P-C4' energy: -25.489
flat angles C4'-P-C4' energy: -25.394
flat angles P-C4'-P energy: -12.159
tors. eta vs tors. theta energy: -26.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -331.565965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.565965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.565965 (E_RNA)
where:
Base-Base interactions energy: -217.680
where: short stacking energy: -105.024
Base-Backbone interact. energy: -0.188
local terms energy: -113.697261
where:
bonds (distance) C4'-P energy: -24.710
bonds (distance) P-C4' energy: -21.772
flat angles C4'-P-C4' energy: -21.011
flat angles P-C4'-P energy: -16.764
tors. eta vs tors. theta energy: -29.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -278.052158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.052158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.052158 (E_RNA)
where:
Base-Base interactions energy: -178.298
where: short stacking energy: -83.420
Base-Backbone interact. energy: -0.075
local terms energy: -99.679088
where:
bonds (distance) C4'-P energy: -20.451
bonds (distance) P-C4' energy: -24.017
flat angles C4'-P-C4' energy: -22.160
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: -23.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -267.565398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.565398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.565398 (E_RNA)
where:
Base-Base interactions energy: -179.182
where: short stacking energy: -68.379
Base-Backbone interact. energy: -0.919
local terms energy: -87.464748
where:
bonds (distance) C4'-P energy: -18.085
bonds (distance) P-C4' energy: -21.654
flat angles C4'-P-C4' energy: -22.866
flat angles P-C4'-P energy: -8.191
tors. eta vs tors. theta energy: -16.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -281.508494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.508494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.508494 (E_RNA)
where:
Base-Base interactions energy: -182.707
where: short stacking energy: -84.965
Base-Backbone interact. energy: -0.629
local terms energy: -98.172155
where:
bonds (distance) C4'-P energy: -17.275
bonds (distance) P-C4' energy: -21.763
flat angles C4'-P-C4' energy: -18.927
flat angles P-C4'-P energy: -16.089
tors. eta vs tors. theta energy: -24.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -235.745395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.745395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.745395 (E_RNA)
where:
Base-Base interactions energy: -143.890
where: short stacking energy: -64.403
Base-Backbone interact. energy: -2.460
local terms energy: -89.395145
where:
bonds (distance) C4'-P energy: -22.608
bonds (distance) P-C4' energy: -24.799
flat angles C4'-P-C4' energy: -16.965
flat angles P-C4'-P energy: -11.758
tors. eta vs tors. theta energy: -13.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -249.112770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.112770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.112770 (E_RNA)
where:
Base-Base interactions energy: -161.085
where: short stacking energy: -65.395
Base-Backbone interact. energy: -0.096
local terms energy: -87.932166
where:
bonds (distance) C4'-P energy: -19.414
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -20.244
flat angles P-C4'-P energy: -17.971
tors. eta vs tors. theta energy: -15.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -230.694421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.694421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.694421 (E_RNA)
where:
Base-Base interactions energy: -146.036
where: short stacking energy: -62.267
Base-Backbone interact. energy: -0.359
local terms energy: -84.299003
where:
bonds (distance) C4'-P energy: -15.797
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -23.796
flat angles P-C4'-P energy: -15.317
tors. eta vs tors. theta energy: -10.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -188.222523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.222523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.222523 (E_RNA)
where:
Base-Base interactions energy: -118.492
where: short stacking energy: -49.434
Base-Backbone interact. energy: 1.395
local terms energy: -71.125738
where:
bonds (distance) C4'-P energy: -18.867
bonds (distance) P-C4' energy: -22.380
flat angles C4'-P-C4' energy: -21.173
flat angles P-C4'-P energy: -7.688
tors. eta vs tors. theta energy: -1.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -372.303096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.303096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.303096 (E_RNA)
where:
Base-Base interactions energy: -246.956
where: short stacking energy: -106.727
Base-Backbone interact. energy: -0.075
local terms energy: -125.272705
where:
bonds (distance) C4'-P energy: -26.440
bonds (distance) P-C4' energy: -25.176
flat angles C4'-P-C4' energy: -24.550
flat angles P-C4'-P energy: -18.623
tors. eta vs tors. theta energy: -30.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -339.290946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.290946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.290946 (E_RNA)
where:
Base-Base interactions energy: -238.602
where: short stacking energy: -99.388
Base-Backbone interact. energy: -0.340
local terms energy: -100.348880
where:
bonds (distance) C4'-P energy: -19.979
bonds (distance) P-C4' energy: -22.724
flat angles C4'-P-C4' energy: -22.076
flat angles P-C4'-P energy: -13.579
tors. eta vs tors. theta energy: -21.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -330.915652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.915652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.915652 (E_RNA)
where:
Base-Base interactions energy: -219.518
where: short stacking energy: -97.526
Base-Backbone interact. energy: -2.494
local terms energy: -108.903534
where:
bonds (distance) C4'-P energy: -20.894
bonds (distance) P-C4' energy: -22.195
flat angles C4'-P-C4' energy: -24.535
flat angles P-C4'-P energy: -17.589
tors. eta vs tors. theta energy: -23.690
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: 10
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -280.438869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.438869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.438869 (E_RNA)
where:
Base-Base interactions energy: -175.450
where: short stacking energy: -86.819
Base-Backbone interact. energy: -0.166
local terms energy: -104.822466
where:
bonds (distance) C4'-P energy: -25.364
bonds (distance) P-C4' energy: -16.990
flat angles C4'-P-C4' energy: -20.504
flat angles P-C4'-P energy: -18.658
tors. eta vs tors. theta energy: -23.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -278.612296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.612296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.612296 (E_RNA)
where:
Base-Base interactions energy: -172.282
where: short stacking energy: -88.913
Base-Backbone interact. energy: -0.158
local terms energy: -106.172187
where:
bonds (distance) C4'-P energy: -17.479
bonds (distance) P-C4' energy: -19.455
flat angles C4'-P-C4' energy: -24.291
flat angles P-C4'-P energy: -19.717
tors. eta vs tors. theta energy: -25.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -254.891737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.891737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.891737 (E_RNA)
where:
Base-Base interactions energy: -160.929
where: short stacking energy: -85.240
Base-Backbone interact. energy: -0.429
local terms energy: -93.533901
where:
bonds (distance) C4'-P energy: -23.801
bonds (distance) P-C4' energy: -18.610
flat angles C4'-P-C4' energy: -19.343
flat angles P-C4'-P energy: -11.110
tors. eta vs tors. theta energy: -20.670
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: 7
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -261.859096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.859096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.859096 (E_RNA)
where:
Base-Base interactions energy: -167.458
where: short stacking energy: -79.350
Base-Backbone interact. energy: -0.166
local terms energy: -94.234946
where:
bonds (distance) C4'-P energy: -15.776
bonds (distance) P-C4' energy: -23.770
flat angles C4'-P-C4' energy: -18.968
flat angles P-C4'-P energy: -17.884
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: 8, replica: 3
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -199.057287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.057287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.057287 (E_RNA)
where:
Base-Base interactions energy: -127.214
where: short stacking energy: -57.789
Base-Backbone interact. energy: -0.176
local terms energy: -71.667751
where:
bonds (distance) C4'-P energy: -9.086
bonds (distance) P-C4' energy: -13.580
flat angles C4'-P-C4' energy: -20.591
flat angles P-C4'-P energy: -16.413
tors. eta vs tors. theta energy: -11.997
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: 8
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -234.436922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.436922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.436922 (E_RNA)
where:
Base-Base interactions energy: -150.732
where: short stacking energy: -52.856
Base-Backbone interact. energy: -0.223
local terms energy: -83.482201
where:
bonds (distance) C4'-P energy: -20.432
bonds (distance) P-C4' energy: -22.533
flat angles C4'-P-C4' energy: -20.544
flat angles P-C4'-P energy: -12.125
tors. eta vs tors. theta energy: -7.848
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: 2
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -201.157291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.157291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.157291 (E_RNA)
where:
Base-Base interactions energy: -129.017
where: short stacking energy: -60.086
Base-Backbone interact. energy: -0.615
local terms energy: -71.524912
where:
bonds (distance) C4'-P energy: -18.578
bonds (distance) P-C4' energy: -22.620
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: -3.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -372.830145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.830145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.830145 (E_RNA)
where:
Base-Base interactions energy: -253.617
where: short stacking energy: -104.308
Base-Backbone interact. energy: -0.275
local terms energy: -118.938761
where:
bonds (distance) C4'-P energy: -23.405
bonds (distance) P-C4' energy: -25.138
flat angles C4'-P-C4' energy: -22.409
flat angles P-C4'-P energy: -13.487
tors. eta vs tors. theta energy: -34.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -340.723336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.723336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.723336 (E_RNA)
where:
Base-Base interactions energy: -223.959
where: short stacking energy: -91.121
Base-Backbone interact. energy: -1.337
local terms energy: -115.427569
where:
bonds (distance) C4'-P energy: -23.883
bonds (distance) P-C4' energy: -22.429
flat angles C4'-P-C4' energy: -23.921
flat angles P-C4'-P energy: -19.730
tors. eta vs tors. theta energy: -25.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -327.069080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.069080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.069080 (E_RNA)
where:
Base-Base interactions energy: -218.254
where: short stacking energy: -96.202
Base-Backbone interact. energy: -0.219
local terms energy: -108.595527
where:
bonds (distance) C4'-P energy: -22.637
bonds (distance) P-C4' energy: -19.290
flat angles C4'-P-C4' energy: -26.691
flat angles P-C4'-P energy: -13.793
tors. eta vs tors. theta energy: -26.185
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: 9
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -295.040609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.040609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.040609 (E_RNA)
where:
Base-Base interactions energy: -192.085
where: short stacking energy: -83.751
Base-Backbone interact. energy: -1.249
local terms energy: -101.705973
where:
bonds (distance) C4'-P energy: -20.312
bonds (distance) P-C4' energy: -20.167
flat angles C4'-P-C4' energy: -20.617
flat angles P-C4'-P energy: -16.311
tors. eta vs tors. theta energy: -24.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -295.518710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.518710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.518710 (E_RNA)
where:
Base-Base interactions energy: -182.061
where: short stacking energy: -90.304
Base-Backbone interact. energy: -0.419
local terms energy: -113.038439
where:
bonds (distance) C4'-P energy: -21.285
bonds (distance) P-C4' energy: -23.786
flat angles C4'-P-C4' energy: -20.660
flat angles P-C4'-P energy: -18.970
tors. eta vs tors. theta energy: -28.338
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: 6, replica: 7
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -261.493755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.493755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.493755 (E_RNA)
where:
Base-Base interactions energy: -167.198
where: short stacking energy: -73.712
Base-Backbone interact. energy: -0.147
local terms energy: -94.149359
where:
bonds (distance) C4'-P energy: -24.880
bonds (distance) P-C4' energy: -18.928
flat angles C4'-P-C4' energy: -20.277
flat angles P-C4'-P energy: -12.660
tors. eta vs tors. theta energy: -17.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -225.356857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.356857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.356857 (E_RNA)
where:
Base-Base interactions energy: -139.751
where: short stacking energy: -69.942
Base-Backbone interact. energy: -0.527
local terms energy: -85.078912
where:
bonds (distance) C4'-P energy: -20.107
bonds (distance) P-C4' energy: -19.718
flat angles C4'-P-C4' energy: -21.482
flat angles P-C4'-P energy: -11.136
tors. eta vs tors. theta energy: -12.635
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: 8
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -198.933235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.933235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.933235 (E_RNA)
where:
Base-Base interactions energy: -111.131
where: short stacking energy: -47.993
Base-Backbone interact. energy: -1.928
local terms energy: -85.874070
where:
bonds (distance) C4'-P energy: -23.397
bonds (distance) P-C4' energy: -21.533
flat angles C4'-P-C4' energy: -14.739
flat angles P-C4'-P energy: -14.197
tors. eta vs tors. theta energy: -12.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -198.783696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.783696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.783696 (E_RNA)
where:
Base-Base interactions energy: -121.870
where: short stacking energy: -53.158
Base-Backbone interact. energy: -0.595
local terms energy: -76.319003
where:
bonds (distance) C4'-P energy: -19.949
bonds (distance) P-C4' energy: -20.373
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -15.639
tors. eta vs tors. theta energy: -4.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -122.557200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.557200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.557200 (E_RNA)
where:
Base-Base interactions energy: -56.106
where: short stacking energy: -28.131
Base-Backbone interact. energy: -0.767
local terms energy: -65.684473
where:
bonds (distance) C4'-P energy: -22.658
bonds (distance) P-C4' energy: -20.088
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: 2.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -372.917658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.917658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.917658 (E_RNA)
where:
Base-Base interactions energy: -254.361
where: short stacking energy: -108.462
Base-Backbone interact. energy: -0.057
local terms energy: -118.499637
where:
bonds (distance) C4'-P energy: -26.146
bonds (distance) P-C4' energy: -22.204
flat angles C4'-P-C4' energy: -23.934
flat angles P-C4'-P energy: -15.437
tors. eta vs tors. theta energy: -30.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -334.317592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.317592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.317592 (E_RNA)
where:
Base-Base interactions energy: -226.199
where: short stacking energy: -84.055
Base-Backbone interact. energy: -0.879
local terms energy: -107.239494
where:
bonds (distance) C4'-P energy: -24.839
bonds (distance) P-C4' energy: -23.602
flat angles C4'-P-C4' energy: -25.588
flat angles P-C4'-P energy: -12.822
tors. eta vs tors. theta energy: -20.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -333.865362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.865362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.865362 (E_RNA)
where:
Base-Base interactions energy: -230.321
where: short stacking energy: -100.333
Base-Backbone interact. energy: 0.951
local terms energy: -104.495926
where:
bonds (distance) C4'-P energy: -17.399
bonds (distance) P-C4' energy: -23.148
flat angles C4'-P-C4' energy: -22.725
flat angles P-C4'-P energy: -14.249
tors. eta vs tors. theta energy: -26.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -260.955220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.955220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.955220 (E_RNA)
where:
Base-Base interactions energy: -175.622
where: short stacking energy: -73.233
Base-Backbone interact. energy: -0.235
local terms energy: -85.098664
where:
bonds (distance) C4'-P energy: -15.449
bonds (distance) P-C4' energy: -21.195
flat angles C4'-P-C4' energy: -23.684
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: -17.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -284.692353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.692353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.692353 (E_RNA)
where:
Base-Base interactions energy: -183.805
where: short stacking energy: -89.999
Base-Backbone interact. energy: 0.205
local terms energy: -101.092430
where:
bonds (distance) C4'-P energy: -23.410
bonds (distance) P-C4' energy: -18.538
flat angles C4'-P-C4' energy: -21.689
flat angles P-C4'-P energy: -18.215
tors. eta vs tors. theta energy: -19.240
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: 10
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -254.849355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.849355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.849355 (E_RNA)
where:
Base-Base interactions energy: -164.526
where: short stacking energy: -72.572
Base-Backbone interact. energy: 0.904
local terms energy: -91.227637
where:
bonds (distance) C4'-P energy: -17.678
bonds (distance) P-C4' energy: -17.546
flat angles C4'-P-C4' energy: -21.893
flat angles P-C4'-P energy: -16.623
tors. eta vs tors. theta energy: -17.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -238.554668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.554668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.554668 (E_RNA)
where:
Base-Base interactions energy: -162.986
where: short stacking energy: -70.406
Base-Backbone interact. energy: -0.216
local terms energy: -75.352508
where:
bonds (distance) C4'-P energy: -15.814
bonds (distance) P-C4' energy: -20.244
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -9.954
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: 8, replica: 6
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -204.743587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.743587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.743587 (E_RNA)
where:
Base-Base interactions energy: -130.143
where: short stacking energy: -64.228
Base-Backbone interact. energy: -0.198
local terms energy: -74.401706
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -24.161
flat angles C4'-P-C4' energy: -15.728
flat angles P-C4'-P energy: -7.732
tors. eta vs tors. theta energy: -12.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -213.961206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.961206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.961206 (E_RNA)
where:
Base-Base interactions energy: -136.817
where: short stacking energy: -62.641
Base-Backbone interact. energy: -0.236
local terms energy: -76.908403
where:
bonds (distance) C4'-P energy: -21.651
bonds (distance) P-C4' energy: -17.850
flat angles C4'-P-C4' energy: -19.215
flat angles P-C4'-P energy: -4.726
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: 10, replica: 2
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -114.191056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.191056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.191056 (E_RNA)
where:
Base-Base interactions energy: -52.827
where: short stacking energy: -35.246
Base-Backbone interact. energy: -0.809
local terms energy: -60.554985
where:
bonds (distance) C4'-P energy: -20.720
bonds (distance) P-C4' energy: -21.963
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -8.858
tors. eta vs tors. theta energy: 5.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -370.334925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.334925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.334925 (E_RNA)
where:
Base-Base interactions energy: -248.944
where: short stacking energy: -110.732
Base-Backbone interact. energy: -0.554
local terms energy: -120.837439
where:
bonds (distance) C4'-P energy: -19.329
bonds (distance) P-C4' energy: -22.169
flat angles C4'-P-C4' energy: -26.383
flat angles P-C4'-P energy: -18.231
tors. eta vs tors. theta energy: -34.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -357.009158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.009158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.009158 (E_RNA)
where:
Base-Base interactions energy: -242.100
where: short stacking energy: -114.368
Base-Backbone interact. energy: 1.563
local terms energy: -116.472058
where:
bonds (distance) C4'-P energy: -18.786
bonds (distance) P-C4' energy: -19.553
flat angles C4'-P-C4' energy: -21.771
flat angles P-C4'-P energy: -21.604
tors. eta vs tors. theta energy: -34.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -314.739383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.739383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.739383 (E_RNA)
where:
Base-Base interactions energy: -201.583
where: short stacking energy: -93.695
Base-Backbone interact. energy: -0.855
local terms energy: -112.301644
where:
bonds (distance) C4'-P energy: -21.497
bonds (distance) P-C4' energy: -27.503
flat angles C4'-P-C4' energy: -21.217
flat angles P-C4'-P energy: -19.097
tors. eta vs tors. theta energy: -22.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -300.135752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.135752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.135752 (E_RNA)
where:
Base-Base interactions energy: -191.663
where: short stacking energy: -93.183
Base-Backbone interact. energy: -0.117
local terms energy: -108.355362
where:
bonds (distance) C4'-P energy: -19.775
bonds (distance) P-C4' energy: -22.001
flat angles C4'-P-C4' energy: -26.213
flat angles P-C4'-P energy: -14.420
tors. eta vs tors. theta energy: -25.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -276.685582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.685582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.685582 (E_RNA)
where:
Base-Base interactions energy: -182.149
where: short stacking energy: -84.130
Base-Backbone interact. energy: -0.157
local terms energy: -94.380148
where:
bonds (distance) C4'-P energy: -17.392
bonds (distance) P-C4' energy: -21.418
flat angles C4'-P-C4' energy: -21.516
flat angles P-C4'-P energy: -13.274
tors. eta vs tors. theta energy: -20.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -259.565019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.565019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.565019 (E_RNA)
where:
Base-Base interactions energy: -174.474
where: short stacking energy: -81.855
Base-Backbone interact. energy: -0.501
local terms energy: -84.590627
where:
bonds (distance) C4'-P energy: -17.252
bonds (distance) P-C4' energy: -17.424
flat angles C4'-P-C4' energy: -20.234
flat angles P-C4'-P energy: -16.406
tors. eta vs tors. theta energy: -13.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -275.873972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.873972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.873972 (E_RNA)
where:
Base-Base interactions energy: -170.410
where: short stacking energy: -83.928
Base-Backbone interact. energy: -0.410
local terms energy: -105.053464
where:
bonds (distance) C4'-P energy: -15.422
bonds (distance) P-C4' energy: -23.465
flat angles C4'-P-C4' energy: -20.067
flat angles P-C4'-P energy: -18.066
tors. eta vs tors. theta energy: -28.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -224.693467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.693467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.693467 (E_RNA)
where:
Base-Base interactions energy: -137.905
where: short stacking energy: -64.963
Base-Backbone interact. energy: 1.313
local terms energy: -88.100752
where:
bonds (distance) C4'-P energy: -20.508
bonds (distance) P-C4' energy: -22.463
flat angles C4'-P-C4' energy: -21.754
flat angles P-C4'-P energy: -12.372
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: 9, replica: 6
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -188.794777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.794777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.794777 (E_RNA)
where:
Base-Base interactions energy: -108.133
where: short stacking energy: -50.176
Base-Backbone interact. energy: -0.220
local terms energy: -80.442125
where:
bonds (distance) C4'-P energy: -20.650
bonds (distance) P-C4' energy: -24.575
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -13.639
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: 10, replica: 2
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -126.886265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.886265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.886265 (E_RNA)
where:
Base-Base interactions energy: -46.442
where: short stacking energy: -31.491
Base-Backbone interact. energy: -0.099
local terms energy: -80.345947
where:
bonds (distance) C4'-P energy: -19.220
bonds (distance) P-C4' energy: -20.681
flat angles C4'-P-C4' energy: -20.910
flat angles P-C4'-P energy: -15.674
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: 5
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -376.003211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.003211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.003211 (E_RNA)
where:
Base-Base interactions energy: -256.921
where: short stacking energy: -114.221
Base-Backbone interact. energy: -0.775
local terms energy: -118.307474
where:
bonds (distance) C4'-P energy: -24.714
bonds (distance) P-C4' energy: -20.553
flat angles C4'-P-C4' energy: -25.562
flat angles P-C4'-P energy: -17.102
tors. eta vs tors. theta energy: -30.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -342.422548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.422548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.422548 (E_RNA)
where:
Base-Base interactions energy: -225.766
where: short stacking energy: -105.749
Base-Backbone interact. energy: -0.428
local terms energy: -116.228516
where:
bonds (distance) C4'-P energy: -23.135
bonds (distance) P-C4' energy: -21.403
flat angles C4'-P-C4' energy: -24.436
flat angles P-C4'-P energy: -15.491
tors. eta vs tors. theta energy: -31.764
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: 1
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -333.781118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.781118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.781118 (E_RNA)
where:
Base-Base interactions energy: -223.014
where: short stacking energy: -100.869
Base-Backbone interact. energy: -0.141
local terms energy: -110.625846
where:
bonds (distance) C4'-P energy: -22.697
bonds (distance) P-C4' energy: -21.091
flat angles C4'-P-C4' energy: -22.906
flat angles P-C4'-P energy: -17.617
tors. eta vs tors. theta energy: -26.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -295.126044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.126044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.126044 (E_RNA)
where:
Base-Base interactions energy: -198.118
where: short stacking energy: -91.115
Base-Backbone interact. energy: 0.096
local terms energy: -97.103330
where:
bonds (distance) C4'-P energy: -16.329
bonds (distance) P-C4' energy: -22.173
flat angles C4'-P-C4' energy: -21.504
flat angles P-C4'-P energy: -12.598
tors. eta vs tors. theta energy: -24.498
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: 244
Temperature: 1.100000
Total energy: -272.888883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.888883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.888883 (E_RNA)
where:
Base-Base interactions energy: -167.893
where: short stacking energy: -82.723
Base-Backbone interact. energy: -0.036
local terms energy: -104.959624
where:
bonds (distance) C4'-P energy: -19.489
bonds (distance) P-C4' energy: -25.060
flat angles C4'-P-C4' energy: -19.593
flat angles P-C4'-P energy: -18.013
tors. eta vs tors. theta energy: -22.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -277.093319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.093319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.093319 (E_RNA)
where:
Base-Base interactions energy: -181.112
where: short stacking energy: -84.882
Base-Backbone interact. energy: -0.398
local terms energy: -95.582899
where:
bonds (distance) C4'-P energy: -19.828
bonds (distance) P-C4' energy: -21.808
flat angles C4'-P-C4' energy: -18.104
flat angles P-C4'-P energy: -15.883
tors. eta vs tors. theta energy: -19.960
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: 7, replica: 10
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -267.095263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.095263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.095263 (E_RNA)
where:
Base-Base interactions energy: -171.480
where: short stacking energy: -76.144
Base-Backbone interact. energy: 0.151
local terms energy: -95.765849
where:
bonds (distance) C4'-P energy: -24.731
bonds (distance) P-C4' energy: -20.558
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -17.077
tors. eta vs tors. theta energy: -16.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -221.201673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.201673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.201673 (E_RNA)
where:
Base-Base interactions energy: -134.897
where: short stacking energy: -58.774
Base-Backbone interact. energy: -1.076
local terms energy: -85.229202
where:
bonds (distance) C4'-P energy: -20.815
bonds (distance) P-C4' energy: -17.863
flat angles C4'-P-C4' energy: -21.135
flat angles P-C4'-P energy: -14.208
tors. eta vs tors. theta energy: -11.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -203.979021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.979021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.979021 (E_RNA)
where:
Base-Base interactions energy: -126.259
where: short stacking energy: -63.276
Base-Backbone interact. energy: -0.271
local terms energy: -77.449715
where:
bonds (distance) C4'-P energy: -22.632
bonds (distance) P-C4' energy: -24.271
flat angles C4'-P-C4' energy: -16.475
flat angles P-C4'-P energy: -5.013
tors. eta vs tors. theta energy: -9.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -109.699596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.699596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.699596 (E_RNA)
where:
Base-Base interactions energy: -42.169
where: short stacking energy: -26.664
Base-Backbone interact. energy: -0.373
local terms energy: -67.157393
where:
bonds (distance) C4'-P energy: -19.767
bonds (distance) P-C4' energy: -18.452
flat angles C4'-P-C4' energy: -19.255
flat angles P-C4'-P energy: -12.608
tors. eta vs tors. theta energy: 2.925
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: 5
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -376.071587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.071587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.071587 (E_RNA)
where:
Base-Base interactions energy: -252.355
where: short stacking energy: -111.349
Base-Backbone interact. energy: -0.127
local terms energy: -123.589933
where:
bonds (distance) C4'-P energy: -24.043
bonds (distance) P-C4' energy: -21.887
flat angles C4'-P-C4' energy: -28.446
flat angles P-C4'-P energy: -17.195
tors. eta vs tors. theta energy: -32.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -344.654491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.654491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.654491 (E_RNA)
where:
Base-Base interactions energy: -229.099
where: short stacking energy: -109.601
Base-Backbone interact. energy: -0.497
local terms energy: -115.057962
where:
bonds (distance) C4'-P energy: -21.030
bonds (distance) P-C4' energy: -18.931
flat angles C4'-P-C4' energy: -25.564
flat angles P-C4'-P energy: -15.807
tors. eta vs tors. theta energy: -33.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -325.004110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.004110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.004110 (E_RNA)
where:
Base-Base interactions energy: -221.085
where: short stacking energy: -95.492
Base-Backbone interact. energy: -0.466
local terms energy: -103.453295
where:
bonds (distance) C4'-P energy: -20.284
bonds (distance) P-C4' energy: -17.236
flat angles C4'-P-C4' energy: -22.352
flat angles P-C4'-P energy: -16.319
tors. eta vs tors. theta energy: -27.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -282.368279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.368279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.368279 (E_RNA)
where:
Base-Base interactions energy: -182.640
where: short stacking energy: -90.404
Base-Backbone interact. energy: -0.137
local terms energy: -99.591575
where:
bonds (distance) C4'-P energy: -22.218
bonds (distance) P-C4' energy: -18.305
flat angles C4'-P-C4' energy: -22.499
flat angles P-C4'-P energy: -13.726
tors. eta vs tors. theta energy: -22.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -287.018215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.018215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.018215 (E_RNA)
where:
Base-Base interactions energy: -184.939
where: short stacking energy: -84.407
Base-Backbone interact. energy: -0.171
local terms energy: -101.907890
where:
bonds (distance) C4'-P energy: -21.227
bonds (distance) P-C4' energy: -22.508
flat angles C4'-P-C4' energy: -24.408
flat angles P-C4'-P energy: -11.061
tors. eta vs tors. theta energy: -22.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -281.457155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.457155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.457155 (E_RNA)
where:
Base-Base interactions energy: -173.362
where: short stacking energy: -97.335
Base-Backbone interact. energy: -0.047
local terms energy: -108.048523
where:
bonds (distance) C4'-P energy: -20.645
bonds (distance) P-C4' energy: -24.745
flat angles C4'-P-C4' energy: -23.344
flat angles P-C4'-P energy: -11.879
tors. eta vs tors. theta energy: -27.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -244.623036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.623036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.623036 (E_RNA)
where:
Base-Base interactions energy: -159.317
where: short stacking energy: -69.681
Base-Backbone interact. energy: 1.024
local terms energy: -86.329935
where:
bonds (distance) C4'-P energy: -19.230
bonds (distance) P-C4' energy: -18.177
flat angles C4'-P-C4' energy: -16.593
flat angles P-C4'-P energy: -15.872
tors. eta vs tors. theta energy: -16.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -221.491332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.491332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.491332 (E_RNA)
where:
Base-Base interactions energy: -137.148
where: short stacking energy: -62.102
Base-Backbone interact. energy: -0.083
local terms energy: -84.260312
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -24.292
flat angles C4'-P-C4' energy: -22.119
flat angles P-C4'-P energy: -12.236
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: 9, replica: 3
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -177.391092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.391092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.391092 (E_RNA)
where:
Base-Base interactions energy: -111.230
where: short stacking energy: -49.377
Base-Backbone interact. energy: -0.507
local terms energy: -65.653646
where:
bonds (distance) C4'-P energy: -9.392
bonds (distance) P-C4' energy: -21.629
flat angles C4'-P-C4' energy: -24.390
flat angles P-C4'-P energy: -5.487
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: 10, replica: 2
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -124.161342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.161342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.161342 (E_RNA)
where:
Base-Base interactions energy: -53.810
where: short stacking energy: -36.727
Base-Backbone interact. energy: -0.276
local terms energy: -70.075093
where:
bonds (distance) C4'-P energy: -20.540
bonds (distance) P-C4' energy: -16.928
flat angles C4'-P-C4' energy: -14.836
flat angles P-C4'-P energy: -12.568
tors. eta vs tors. theta energy: -5.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -352.335227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.335227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.335227 (E_RNA)
where:
Base-Base interactions energy: -229.799
where: short stacking energy: -105.857
Base-Backbone interact. energy: -0.898
local terms energy: -121.638514
where:
bonds (distance) C4'-P energy: -22.636
bonds (distance) P-C4' energy: -22.514
flat angles C4'-P-C4' energy: -26.636
flat angles P-C4'-P energy: -16.569
tors. eta vs tors. theta energy: -33.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -360.933761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.933761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.933761 (E_RNA)
where:
Base-Base interactions energy: -247.570
where: short stacking energy: -99.673
Base-Backbone interact. energy: -0.072
local terms energy: -113.291264
where:
bonds (distance) C4'-P energy: -18.553
bonds (distance) P-C4' energy: -24.572
flat angles C4'-P-C4' energy: -24.811
flat angles P-C4'-P energy: -12.242
tors. eta vs tors. theta energy: -33.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -329.722685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.722685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.722685 (E_RNA)
where:
Base-Base interactions energy: -217.957
where: short stacking energy: -92.581
Base-Backbone interact. energy: -0.124
local terms energy: -111.642472
where:
bonds (distance) C4'-P energy: -23.704
bonds (distance) P-C4' energy: -23.739
flat angles C4'-P-C4' energy: -19.009
flat angles P-C4'-P energy: -19.899
tors. eta vs tors. theta energy: -25.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -284.336807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.336807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.336807 (E_RNA)
where:
Base-Base interactions energy: -180.198
where: short stacking energy: -77.007
Base-Backbone interact. energy: -0.793
local terms energy: -103.345261
where:
bonds (distance) C4'-P energy: -22.578
bonds (distance) P-C4' energy: -20.489
flat angles C4'-P-C4' energy: -24.850
flat angles P-C4'-P energy: -17.535
tors. eta vs tors. theta energy: -17.892
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: 5, replica: 7
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -287.922728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.922728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.922728 (E_RNA)
where:
Base-Base interactions energy: -193.749
where: short stacking energy: -85.616
Base-Backbone interact. energy: -0.264
local terms energy: -93.910166
where:
bonds (distance) C4'-P energy: -23.327
bonds (distance) P-C4' energy: -15.238
flat angles C4'-P-C4' energy: -23.701
flat angles P-C4'-P energy: -12.534
tors. eta vs tors. theta energy: -19.110
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: 8
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -280.260540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.260540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.260540 (E_RNA)
where:
Base-Base interactions energy: -175.414
where: short stacking energy: -78.107
Base-Backbone interact. energy: -1.205
local terms energy: -103.641837
where:
bonds (distance) C4'-P energy: -18.671
bonds (distance) P-C4' energy: -23.251
flat angles C4'-P-C4' energy: -25.458
flat angles P-C4'-P energy: -16.893
tors. eta vs tors. theta energy: -19.369
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: 6
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -235.411832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.411832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.411832 (E_RNA)
where:
Base-Base interactions energy: -143.408
where: short stacking energy: -63.758
Base-Backbone interact. energy: -0.643
local terms energy: -91.360677
where:
bonds (distance) C4'-P energy: -20.429
bonds (distance) P-C4' energy: -24.924
flat angles C4'-P-C4' energy: -23.502
flat angles P-C4'-P energy: -13.888
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: 8, replica: 10
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -250.597841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.597841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.597841 (E_RNA)
where:
Base-Base interactions energy: -166.166
where: short stacking energy: -79.782
Base-Backbone interact. energy: -0.192
local terms energy: -84.239061
where:
bonds (distance) C4'-P energy: -16.635
bonds (distance) P-C4' energy: -18.407
flat angles C4'-P-C4' energy: -25.942
flat angles P-C4'-P energy: -9.433
tors. eta vs tors. theta energy: -13.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -231.634477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.634477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.634477 (E_RNA)
where:
Base-Base interactions energy: -154.463
where: short stacking energy: -64.860
Base-Backbone interact. energy: -0.140
local terms energy: -77.032312
where:
bonds (distance) C4'-P energy: -19.295
bonds (distance) P-C4' energy: -21.284
flat angles C4'-P-C4' energy: -23.630
flat angles P-C4'-P energy: -6.066
tors. eta vs tors. theta energy: -6.757
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: 2
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -103.188016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.188016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.188016 (E_RNA)
where:
Base-Base interactions energy: -33.816
where: short stacking energy: -33.599
Base-Backbone interact. energy: -0.271
local terms energy: -69.100652
where:
bonds (distance) C4'-P energy: -19.863
bonds (distance) P-C4' energy: -20.912
flat angles C4'-P-C4' energy: -16.792
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: -0.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -344.356629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.356629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.356629 (E_RNA)
where:
Base-Base interactions energy: -225.295
where: short stacking energy: -103.788
Base-Backbone interact. energy: -0.309
local terms energy: -118.752157
where:
bonds (distance) C4'-P energy: -21.816
bonds (distance) P-C4' energy: -21.140
flat angles C4'-P-C4' energy: -24.283
flat angles P-C4'-P energy: -21.383
tors. eta vs tors. theta energy: -30.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -347.483310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.483310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.483310 (E_RNA)
where:
Base-Base interactions energy: -232.862
where: short stacking energy: -106.930
Base-Backbone interact. energy: -0.487
local terms energy: -114.133885
where:
bonds (distance) C4'-P energy: -22.976
bonds (distance) P-C4' energy: -26.382
flat angles C4'-P-C4' energy: -17.910
flat angles P-C4'-P energy: -14.450
tors. eta vs tors. theta energy: -32.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -354.485419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.485419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.485419 (E_RNA)
where:
Base-Base interactions energy: -243.123
where: short stacking energy: -102.853
Base-Backbone interact. energy: -0.447
local terms energy: -110.914511
where:
bonds (distance) C4'-P energy: -18.592
bonds (distance) P-C4' energy: -17.236
flat angles C4'-P-C4' energy: -23.672
flat angles P-C4'-P energy: -18.791
tors. eta vs tors. theta energy: -32.624
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: 7
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -297.116272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.116272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.116272 (E_RNA)
where:
Base-Base interactions energy: -190.858
where: short stacking energy: -87.422
Base-Backbone interact. energy: -0.177
local terms energy: -106.081145
where:
bonds (distance) C4'-P energy: -22.027
bonds (distance) P-C4' energy: -21.769
flat angles C4'-P-C4' energy: -21.575
flat angles P-C4'-P energy: -18.974
tors. eta vs tors. theta energy: -21.736
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: 9
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -280.514837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.514837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.514837 (E_RNA)
where:
Base-Base interactions energy: -173.701
where: short stacking energy: -84.942
Base-Backbone interact. energy: 0.653
local terms energy: -107.466100
where:
bonds (distance) C4'-P energy: -21.163
bonds (distance) P-C4' energy: -18.460
flat angles C4'-P-C4' energy: -23.202
flat angles P-C4'-P energy: -20.957
tors. eta vs tors. theta energy: -23.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -269.553347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.553347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.553347 (E_RNA)
where:
Base-Base interactions energy: -171.469
where: short stacking energy: -78.503
Base-Backbone interact. energy: -0.043
local terms energy: -98.040729
where:
bonds (distance) C4'-P energy: -20.286
bonds (distance) P-C4' energy: -21.223
flat angles C4'-P-C4' energy: -19.489
flat angles P-C4'-P energy: -15.133
tors. eta vs tors. theta energy: -21.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -268.559311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.559311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.559311 (E_RNA)
where:
Base-Base interactions energy: -172.216
where: short stacking energy: -77.560
Base-Backbone interact. energy: -0.930
local terms energy: -95.412710
where:
bonds (distance) C4'-P energy: -18.976
bonds (distance) P-C4' energy: -23.350
flat angles C4'-P-C4' energy: -21.554
flat angles P-C4'-P energy: -11.218
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: 8, replica: 10
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -235.751044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.751044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.751044 (E_RNA)
where:
Base-Base interactions energy: -143.902
where: short stacking energy: -70.155
Base-Backbone interact. energy: -0.023
local terms energy: -91.825762
where:
bonds (distance) C4'-P energy: -20.904
bonds (distance) P-C4' energy: -23.387
flat angles C4'-P-C4' energy: -17.724
flat angles P-C4'-P energy: -15.732
tors. eta vs tors. theta energy: -14.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -235.137900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.137900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.137900 (E_RNA)
where:
Base-Base interactions energy: -156.763
where: short stacking energy: -65.818
Base-Backbone interact. energy: -0.882
local terms energy: -77.493076
where:
bonds (distance) C4'-P energy: -19.905
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -22.666
flat angles P-C4'-P energy: -14.549
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: 10, replica: 2
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -107.238035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.238035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.238035 (E_RNA)
where:
Base-Base interactions energy: -50.546
where: short stacking energy: -46.683
Base-Backbone interact. energy: -0.323
local terms energy: -56.369085
where:
bonds (distance) C4'-P energy: -18.652
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -17.622
flat angles P-C4'-P energy: -7.864
tors. eta vs tors. theta energy: 3.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -356.907800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.907800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.907800 (E_RNA)
where:
Base-Base interactions energy: -239.277
where: short stacking energy: -108.965
Base-Backbone interact. energy: -1.007
local terms energy: -116.623684
where:
bonds (distance) C4'-P energy: -23.552
bonds (distance) P-C4' energy: -19.118
flat angles C4'-P-C4' energy: -27.922
flat angles P-C4'-P energy: -14.991
tors. eta vs tors. theta energy: -31.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -331.764433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.764433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.764433 (E_RNA)
where:
Base-Base interactions energy: -205.879
where: short stacking energy: -98.657
Base-Backbone interact. energy: -0.178
local terms energy: -125.706662
where:
bonds (distance) C4'-P energy: -26.724
bonds (distance) P-C4' energy: -24.471
flat angles C4'-P-C4' energy: -24.833
flat angles P-C4'-P energy: -21.093
tors. eta vs tors. theta energy: -28.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -351.765076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.765076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.765076 (E_RNA)
where:
Base-Base interactions energy: -240.216
where: short stacking energy: -101.165
Base-Backbone interact. energy: 0.915
local terms energy: -112.464509
where:
bonds (distance) C4'-P energy: -23.385
bonds (distance) P-C4' energy: -23.529
flat angles C4'-P-C4' energy: -23.779
flat angles P-C4'-P energy: -12.011
tors. eta vs tors. theta energy: -29.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -275.482840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.482840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.482840 (E_RNA)
where:
Base-Base interactions energy: -170.533
where: short stacking energy: -83.455
Base-Backbone interact. energy: 0.088
local terms energy: -105.037872
where:
bonds (distance) C4'-P energy: -23.588
bonds (distance) P-C4' energy: -22.170
flat angles C4'-P-C4' energy: -23.789
flat angles P-C4'-P energy: -18.054
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: 5, replica: 6
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -264.882051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.882051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.882051 (E_RNA)
where:
Base-Base interactions energy: -169.838
where: short stacking energy: -79.398
Base-Backbone interact. energy: -0.870
local terms energy: -94.173854
where:
bonds (distance) C4'-P energy: -18.663
bonds (distance) P-C4' energy: -24.653
flat angles C4'-P-C4' energy: -18.286
flat angles P-C4'-P energy: -15.709
tors. eta vs tors. theta energy: -16.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -277.098357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.098357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.098357 (E_RNA)
where:
Base-Base interactions energy: -191.868
where: short stacking energy: -82.111
Base-Backbone interact. energy: -0.325
local terms energy: -84.904882
where:
bonds (distance) C4'-P energy: -18.013
bonds (distance) P-C4' energy: -19.793
flat angles C4'-P-C4' energy: -16.844
flat angles P-C4'-P energy: -12.519
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: 7, replica: 8
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -240.472782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.472782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.472782 (E_RNA)
where:
Base-Base interactions energy: -143.549
where: short stacking energy: -70.625
Base-Backbone interact. energy: -0.335
local terms energy: -96.588633
where:
bonds (distance) C4'-P energy: -20.276
bonds (distance) P-C4' energy: -20.212
flat angles C4'-P-C4' energy: -21.905
flat angles P-C4'-P energy: -15.103
tors. eta vs tors. theta energy: -19.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -215.912710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.912710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.912710 (E_RNA)
where:
Base-Base interactions energy: -128.765
where: short stacking energy: -70.554
Base-Backbone interact. energy: -0.849
local terms energy: -86.298115
where:
bonds (distance) C4'-P energy: -19.920
bonds (distance) P-C4' energy: -23.603
flat angles C4'-P-C4' energy: -19.489
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: -13.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -226.903467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.903467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.903467 (E_RNA)
where:
Base-Base interactions energy: -139.749
where: short stacking energy: -57.520
Base-Backbone interact. energy: 1.101
local terms energy: -88.256165
where:
bonds (distance) C4'-P energy: -18.052
bonds (distance) P-C4' energy: -22.793
flat angles C4'-P-C4' energy: -19.730
flat angles P-C4'-P energy: -13.524
tors. eta vs tors. theta energy: -14.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -119.418242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.418242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.418242 (E_RNA)
where:
Base-Base interactions energy: -46.096
where: short stacking energy: -44.389
Base-Backbone interact. energy: -0.077
local terms energy: -73.245394
where:
bonds (distance) C4'-P energy: -12.206
bonds (distance) P-C4' energy: -26.342
flat angles C4'-P-C4' energy: -14.086
flat angles P-C4'-P energy: -12.538
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: 1, replica: 1
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -356.203720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.203720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.203720 (E_RNA)
where:
Base-Base interactions energy: -230.979
where: short stacking energy: -106.479
Base-Backbone interact. energy: -0.312
local terms energy: -124.913070
where:
bonds (distance) C4'-P energy: -25.630
bonds (distance) P-C4' energy: -20.693
flat angles C4'-P-C4' energy: -27.634
flat angles P-C4'-P energy: -18.126
tors. eta vs tors. theta energy: -32.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -357.409511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.409511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.409511 (E_RNA)
where:
Base-Base interactions energy: -244.413
where: short stacking energy: -100.775
Base-Backbone interact. energy: -0.396
local terms energy: -112.599796
where:
bonds (distance) C4'-P energy: -21.177
bonds (distance) P-C4' energy: -21.327
flat angles C4'-P-C4' energy: -24.905
flat angles P-C4'-P energy: -14.783
tors. eta vs tors. theta energy: -30.409
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: 4
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -332.996829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.996829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.996829 (E_RNA)
where:
Base-Base interactions energy: -220.423
where: short stacking energy: -107.205
Base-Backbone interact. energy: -0.131
local terms energy: -112.443348
where:
bonds (distance) C4'-P energy: -19.022
bonds (distance) P-C4' energy: -22.522
flat angles C4'-P-C4' energy: -25.341
flat angles P-C4'-P energy: -13.981
tors. eta vs tors. theta energy: -31.578
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: 6
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -288.605756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.605756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.605756 (E_RNA)
where:
Base-Base interactions energy: -188.949
where: short stacking energy: -90.473
Base-Backbone interact. energy: -0.452
local terms energy: -99.205307
where:
bonds (distance) C4'-P energy: -22.300
bonds (distance) P-C4' energy: -18.723
flat angles C4'-P-C4' energy: -19.509
flat angles P-C4'-P energy: -20.191
tors. eta vs tors. theta energy: -18.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -261.477444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.477444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.477444 (E_RNA)
where:
Base-Base interactions energy: -173.141
where: short stacking energy: -71.465
Base-Backbone interact. energy: -0.267
local terms energy: -88.069371
where:
bonds (distance) C4'-P energy: -20.570
bonds (distance) P-C4' energy: -19.572
flat angles C4'-P-C4' energy: -24.902
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -12.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -257.502764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.502764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.502764 (E_RNA)
where:
Base-Base interactions energy: -171.821
where: short stacking energy: -66.689
Base-Backbone interact. energy: -0.808
local terms energy: -84.874254
where:
bonds (distance) C4'-P energy: -17.294
bonds (distance) P-C4' energy: -18.233
flat angles C4'-P-C4' energy: -20.993
flat angles P-C4'-P energy: -15.742
tors. eta vs tors. theta energy: -12.612
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: 7, replica: 9
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -271.012317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.012317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.012317 (E_RNA)
where:
Base-Base interactions energy: -181.248
where: short stacking energy: -84.189
Base-Backbone interact. energy: -1.045
local terms energy: -88.719352
where:
bonds (distance) C4'-P energy: -11.413
bonds (distance) P-C4' energy: -23.694
flat angles C4'-P-C4' energy: -19.985
flat angles P-C4'-P energy: -15.008
tors. eta vs tors. theta energy: -18.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -219.562787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.562787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.562787 (E_RNA)
where:
Base-Base interactions energy: -146.149
where: short stacking energy: -67.140
Base-Backbone interact. energy: -0.530
local terms energy: -72.884184
where:
bonds (distance) C4'-P energy: -7.138
bonds (distance) P-C4' energy: -17.757
flat angles C4'-P-C4' energy: -23.504
flat angles P-C4'-P energy: -12.548
tors. eta vs tors. theta energy: -11.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -224.930587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.930587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.930587 (E_RNA)
where:
Base-Base interactions energy: -149.959
where: short stacking energy: -55.292
Base-Backbone interact. energy: -1.063
local terms energy: -73.908383
where:
bonds (distance) C4'-P energy: -11.601
bonds (distance) P-C4' energy: -21.146
flat angles C4'-P-C4' energy: -22.172
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -8.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -100.540770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.540770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.540770 (E_RNA)
where:
Base-Base interactions energy: -32.448
where: short stacking energy: -28.773
Base-Backbone interact. energy: 2.160
local terms energy: -70.252594
where:
bonds (distance) C4'-P energy: -19.154
bonds (distance) P-C4' energy: -21.194
flat angles C4'-P-C4' energy: -19.642
flat angles P-C4'-P energy: -12.992
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: 1, replica: 5
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -362.152043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.152043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.152043 (E_RNA)
where:
Base-Base interactions energy: -253.794
where: short stacking energy: -113.107
Base-Backbone interact. energy: -0.088
local terms energy: -108.269786
where:
bonds (distance) C4'-P energy: -17.498
bonds (distance) P-C4' energy: -19.237
flat angles C4'-P-C4' energy: -26.806
flat angles P-C4'-P energy: -13.512
tors. eta vs tors. theta energy: -31.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -347.125218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.125218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.125218 (E_RNA)
where:
Base-Base interactions energy: -238.597
where: short stacking energy: -106.761
Base-Backbone interact. energy: -0.023
local terms energy: -108.504458
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -24.420
flat angles C4'-P-C4' energy: -14.396
flat angles P-C4'-P energy: -20.218
tors. eta vs tors. theta energy: -33.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -313.267203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.267203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.267203 (E_RNA)
where:
Base-Base interactions energy: -201.339
where: short stacking energy: -95.910
Base-Backbone interact. energy: 1.024
local terms energy: -112.951563
where:
bonds (distance) C4'-P energy: -20.195
bonds (distance) P-C4' energy: -21.481
flat angles C4'-P-C4' energy: -24.393
flat angles P-C4'-P energy: -18.930
tors. eta vs tors. theta energy: -27.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -294.712367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.712367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.712367 (E_RNA)
where:
Base-Base interactions energy: -194.352
where: short stacking energy: -90.534
Base-Backbone interact. energy: -0.078
local terms energy: -100.282781
where:
bonds (distance) C4'-P energy: -16.338
bonds (distance) P-C4' energy: -23.577
flat angles C4'-P-C4' energy: -19.317
flat angles P-C4'-P energy: -14.163
tors. eta vs tors. theta energy: -26.887
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: 8
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -278.922455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.922455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.922455 (E_RNA)
where:
Base-Base interactions energy: -180.683
where: short stacking energy: -70.494
Base-Backbone interact. energy: -0.256
local terms energy: -97.983857
where:
bonds (distance) C4'-P energy: -20.247
bonds (distance) P-C4' energy: -22.880
flat angles C4'-P-C4' energy: -23.456
flat angles P-C4'-P energy: -15.149
tors. eta vs tors. theta energy: -16.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -254.170231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.170231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.170231 (E_RNA)
where:
Base-Base interactions energy: -156.476
where: short stacking energy: -62.380
Base-Backbone interact. energy: -0.400
local terms energy: -97.294574
where:
bonds (distance) C4'-P energy: -23.794
bonds (distance) P-C4' energy: -20.580
flat angles C4'-P-C4' energy: -22.530
flat angles P-C4'-P energy: -17.304
tors. eta vs tors. theta energy: -13.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -206.466319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.466319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.466319 (E_RNA)
where:
Base-Base interactions energy: -127.093
where: short stacking energy: -61.671
Base-Backbone interact. energy: -0.525
local terms energy: -78.848629
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -20.092
flat angles C4'-P-C4' energy: -17.879
flat angles P-C4'-P energy: -12.456
tors. eta vs tors. theta energy: -12.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -238.288545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.288545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.288545 (E_RNA)
where:
Base-Base interactions energy: -155.355
where: short stacking energy: -59.488
Base-Backbone interact. energy: -0.085
local terms energy: -82.848991
where:
bonds (distance) C4'-P energy: -18.236
bonds (distance) P-C4' energy: -23.041
flat angles C4'-P-C4' energy: -20.670
flat angles P-C4'-P energy: -13.733
tors. eta vs tors. theta energy: -7.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -202.946809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.946809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.946809 (E_RNA)
where:
Base-Base interactions energy: -113.389
where: short stacking energy: -53.940
Base-Backbone interact. energy: -0.115
local terms energy: -89.442283
where:
bonds (distance) C4'-P energy: -21.066
bonds (distance) P-C4' energy: -18.381
flat angles C4'-P-C4' energy: -23.801
flat angles P-C4'-P energy: -13.965
tors. eta vs tors. theta energy: -12.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -112.966837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.966837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.966837 (E_RNA)
where:
Base-Base interactions energy: -54.496
where: short stacking energy: -38.699
Base-Backbone interact. energy: 3.154
local terms energy: -61.624494
where:
bonds (distance) C4'-P energy: -16.087
bonds (distance) P-C4' energy: -17.867
flat angles C4'-P-C4' energy: -12.904
flat angles P-C4'-P energy: -15.329
tors. eta vs tors. theta energy: 0.564
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: 5
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -365.602578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.602578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.602578 (E_RNA)
where:
Base-Base interactions energy: -247.898
where: short stacking energy: -110.251
Base-Backbone interact. energy: -0.039
local terms energy: -117.665776
where:
bonds (distance) C4'-P energy: -22.410
bonds (distance) P-C4' energy: -23.692
flat angles C4'-P-C4' energy: -25.629
flat angles P-C4'-P energy: -12.785
tors. eta vs tors. theta energy: -33.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -348.972245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.972245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.972245 (E_RNA)
where:
Base-Base interactions energy: -235.475
where: short stacking energy: -112.173
Base-Backbone interact. energy: -0.207
local terms energy: -113.289751
where:
bonds (distance) C4'-P energy: -24.751
bonds (distance) P-C4' energy: -21.024
flat angles C4'-P-C4' energy: -23.979
flat angles P-C4'-P energy: -12.543
tors. eta vs tors. theta energy: -30.991
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: 4
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -325.610326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.610326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.610326 (E_RNA)
where:
Base-Base interactions energy: -215.448
where: short stacking energy: -100.681
Base-Backbone interact. energy: 0.706
local terms energy: -110.868149
where:
bonds (distance) C4'-P energy: -21.799
bonds (distance) P-C4' energy: -20.471
flat angles C4'-P-C4' energy: -24.284
flat angles P-C4'-P energy: -15.747
tors. eta vs tors. theta energy: -28.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -282.817329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.817329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.817329 (E_RNA)
where:
Base-Base interactions energy: -177.349
where: short stacking energy: -95.190
Base-Backbone interact. energy: -0.826
local terms energy: -104.642312
where:
bonds (distance) C4'-P energy: -20.047
bonds (distance) P-C4' energy: -21.292
flat angles C4'-P-C4' energy: -27.335
flat angles P-C4'-P energy: -12.802
tors. eta vs tors. theta energy: -23.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -264.927014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.927014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.927014 (E_RNA)
where:
Base-Base interactions energy: -161.284
where: short stacking energy: -75.927
Base-Backbone interact. energy: -0.310
local terms energy: -103.333357
where:
bonds (distance) C4'-P energy: -22.865
bonds (distance) P-C4' energy: -25.893
flat angles C4'-P-C4' energy: -20.833
flat angles P-C4'-P energy: -12.973
tors. eta vs tors. theta energy: -20.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -260.561704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.561704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.561704 (E_RNA)
where:
Base-Base interactions energy: -159.807
where: short stacking energy: -70.480
Base-Backbone interact. energy: -0.644
local terms energy: -100.110920
where:
bonds (distance) C4'-P energy: -19.267
bonds (distance) P-C4' energy: -23.025
flat angles C4'-P-C4' energy: -20.883
flat angles P-C4'-P energy: -16.189
tors. eta vs tors. theta energy: -20.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -215.310568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.310568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.310568 (E_RNA)
where:
Base-Base interactions energy: -123.900
where: short stacking energy: -57.853
Base-Backbone interact. energy: -0.090
local terms energy: -91.319748
where:
bonds (distance) C4'-P energy: -19.253
bonds (distance) P-C4' energy: -19.318
flat angles C4'-P-C4' energy: -24.078
flat angles P-C4'-P energy: -14.208
tors. eta vs tors. theta energy: -14.463
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: 3
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -209.120506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.120506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.120506 (E_RNA)
where:
Base-Base interactions energy: -128.100
where: short stacking energy: -68.302
Base-Backbone interact. energy: 0.184
local terms energy: -81.204335
where:
bonds (distance) C4'-P energy: -24.823
bonds (distance) P-C4' energy: -19.039
flat angles C4'-P-C4' energy: -19.290
flat angles P-C4'-P energy: -8.153
tors. eta vs tors. theta energy: -9.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -236.077258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.077258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.077258 (E_RNA)
where:
Base-Base interactions energy: -145.694
where: short stacking energy: -69.999
Base-Backbone interact. energy: 0.512
local terms energy: -90.895437
where:
bonds (distance) C4'-P energy: -20.232
bonds (distance) P-C4' energy: -21.339
flat angles C4'-P-C4' energy: -21.141
flat angles P-C4'-P energy: -15.647
tors. eta vs tors. theta energy: -12.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -106.568969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.568969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.568969 (E_RNA)
where:
Base-Base interactions energy: -46.249
where: short stacking energy: -44.832
Base-Backbone interact. energy: 3.021
local terms energy: -63.340854
where:
bonds (distance) C4'-P energy: -14.171
bonds (distance) P-C4' energy: -23.352
flat angles C4'-P-C4' energy: -16.632
flat angles P-C4'-P energy: -8.050
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: 1
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -342.552851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.552851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.552851 (E_RNA)
where:
Base-Base interactions energy: -231.733
where: short stacking energy: -99.986
Base-Backbone interact. energy: -0.568
local terms energy: -110.252397
where:
bonds (distance) C4'-P energy: -20.857
bonds (distance) P-C4' energy: -22.042
flat angles C4'-P-C4' energy: -22.360
flat angles P-C4'-P energy: -15.033
tors. eta vs tors. theta energy: -29.961
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: 252
Temperature: 0.950000
Total energy: -358.656538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.656538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.656538 (E_RNA)
where:
Base-Base interactions energy: -242.101
where: short stacking energy: -105.155
Base-Backbone interact. energy: -0.209
local terms energy: -116.346246
where:
bonds (distance) C4'-P energy: -19.099
bonds (distance) P-C4' energy: -24.643
flat angles C4'-P-C4' energy: -19.595
flat angles P-C4'-P energy: -19.186
tors. eta vs tors. theta energy: -33.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -296.478544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.478544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.478544 (E_RNA)
where:
Base-Base interactions energy: -200.759
where: short stacking energy: -86.692
Base-Backbone interact. energy: -1.203
local terms energy: -94.516679
where:
bonds (distance) C4'-P energy: -20.070
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -21.045
flat angles P-C4'-P energy: -16.079
tors. eta vs tors. theta energy: -21.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -309.547516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.547516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.547516 (E_RNA)
where:
Base-Base interactions energy: -211.610
where: short stacking energy: -97.091
Base-Backbone interact. energy: -0.163
local terms energy: -97.774529
where:
bonds (distance) C4'-P energy: -23.081
bonds (distance) P-C4' energy: -19.164
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -17.351
tors. eta vs tors. theta energy: -22.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -238.079413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.079413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.079413 (E_RNA)
where:
Base-Base interactions energy: -136.740
where: short stacking energy: -80.430
Base-Backbone interact. energy: -0.159
local terms energy: -101.180289
where:
bonds (distance) C4'-P energy: -21.236
bonds (distance) P-C4' energy: -20.674
flat angles C4'-P-C4' energy: -23.655
flat angles P-C4'-P energy: -17.039
tors. eta vs tors. theta energy: -18.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -260.262420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.262420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.262420 (E_RNA)
where:
Base-Base interactions energy: -169.057
where: short stacking energy: -80.972
Base-Backbone interact. energy: -0.323
local terms energy: -90.882098
where:
bonds (distance) C4'-P energy: -17.489
bonds (distance) P-C4' energy: -23.256
flat angles C4'-P-C4' energy: -16.629
flat angles P-C4'-P energy: -17.715
tors. eta vs tors. theta energy: -15.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -235.155418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.155418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.155418 (E_RNA)
where:
Base-Base interactions energy: -144.068
where: short stacking energy: -66.860
Base-Backbone interact. energy: 0.151
local terms energy: -91.238136
where:
bonds (distance) C4'-P energy: -21.226
bonds (distance) P-C4' energy: -20.803
flat angles C4'-P-C4' energy: -22.069
flat angles P-C4'-P energy: -10.000
tors. eta vs tors. theta energy: -17.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -220.576288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.576288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.576288 (E_RNA)
where:
Base-Base interactions energy: -124.431
where: short stacking energy: -64.729
Base-Backbone interact. energy: -0.327
local terms energy: -95.817918
where:
bonds (distance) C4'-P energy: -23.074
bonds (distance) P-C4' energy: -24.002
flat angles C4'-P-C4' energy: -21.372
flat angles P-C4'-P energy: -17.098
tors. eta vs tors. theta energy: -10.272
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: 9
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -222.026953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.026953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.026953 (E_RNA)
where:
Base-Base interactions energy: -156.055
where: short stacking energy: -65.882
Base-Backbone interact. energy: 0.721
local terms energy: -66.692997
where:
bonds (distance) C4'-P energy: -18.964
bonds (distance) P-C4' energy: -16.664
flat angles C4'-P-C4' energy: -16.462
flat angles P-C4'-P energy: -9.475
tors. eta vs tors. theta energy: -5.127
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: 2
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -152.445988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.445988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.445988 (E_RNA)
where:
Base-Base interactions energy: -76.600
where: short stacking energy: -43.298
Base-Backbone interact. energy: -0.181
local terms energy: -75.665662
where:
bonds (distance) C4'-P energy: -21.291
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: -16.968
tors. eta vs tors. theta energy: -4.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -349.507767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.507767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.507767 (E_RNA)
where:
Base-Base interactions energy: -229.932
where: short stacking energy: -99.869
Base-Backbone interact. energy: -0.712
local terms energy: -118.863029
where:
bonds (distance) C4'-P energy: -20.062
bonds (distance) P-C4' energy: -26.757
flat angles C4'-P-C4' energy: -26.358
flat angles P-C4'-P energy: -15.281
tors. eta vs tors. theta energy: -30.406
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: 5
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -359.946602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.946602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.946602 (E_RNA)
where:
Base-Base interactions energy: -242.374
where: short stacking energy: -105.474
Base-Backbone interact. energy: -0.052
local terms energy: -117.519785
where:
bonds (distance) C4'-P energy: -22.819
bonds (distance) P-C4' energy: -22.350
flat angles C4'-P-C4' energy: -24.822
flat angles P-C4'-P energy: -16.288
tors. eta vs tors. theta energy: -31.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -295.951261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.951261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.951261 (E_RNA)
where:
Base-Base interactions energy: -180.560
where: short stacking energy: -86.636
Base-Backbone interact. energy: -0.066
local terms energy: -115.325291
where:
bonds (distance) C4'-P energy: -24.959
bonds (distance) P-C4' energy: -20.365
flat angles C4'-P-C4' energy: -25.484
flat angles P-C4'-P energy: -18.804
tors. eta vs tors. theta energy: -25.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -314.040641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.040641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.040641 (E_RNA)
where:
Base-Base interactions energy: -204.590
where: short stacking energy: -81.061
Base-Backbone interact. energy: -1.195
local terms energy: -108.255844
where:
bonds (distance) C4'-P energy: -24.666
bonds (distance) P-C4' energy: -23.548
flat angles C4'-P-C4' energy: -24.167
flat angles P-C4'-P energy: -14.206
tors. eta vs tors. theta energy: -21.668
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: 7
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -240.152995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.152995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.152995 (E_RNA)
where:
Base-Base interactions energy: -157.158
where: short stacking energy: -70.996
Base-Backbone interact. energy: 0.514
local terms energy: -83.509351
where:
bonds (distance) C4'-P energy: -19.876
bonds (distance) P-C4' energy: -22.963
flat angles C4'-P-C4' energy: -18.382
flat angles P-C4'-P energy: -6.875
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: 6, replica: 6
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -275.379068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.379068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.379068 (E_RNA)
where:
Base-Base interactions energy: -177.863
where: short stacking energy: -83.870
Base-Backbone interact. energy: -0.129
local terms energy: -97.386694
where:
bonds (distance) C4'-P energy: -19.453
bonds (distance) P-C4' energy: -21.810
flat angles C4'-P-C4' energy: -19.640
flat angles P-C4'-P energy: -17.223
tors. eta vs tors. theta energy: -19.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -209.861308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.861308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.861308 (E_RNA)
where:
Base-Base interactions energy: -127.685
where: short stacking energy: -64.568
Base-Backbone interact. energy: -0.252
local terms energy: -81.924124
where:
bonds (distance) C4'-P energy: -19.109
bonds (distance) P-C4' energy: -22.469
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -11.290
tors. eta vs tors. theta energy: -14.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -241.778269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.778269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.778269 (E_RNA)
where:
Base-Base interactions energy: -144.592
where: short stacking energy: -64.461
Base-Backbone interact. energy: -0.126
local terms energy: -97.060072
where:
bonds (distance) C4'-P energy: -26.325
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -22.431
flat angles P-C4'-P energy: -14.242
tors. eta vs tors. theta energy: -14.956
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: 253
Temperature: 1.300000
Total energy: -197.262129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.262129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.262129 (E_RNA)
where:
Base-Base interactions energy: -119.797
where: short stacking energy: -56.987
Base-Backbone interact. energy: 0.292
local terms energy: -77.757439
where:
bonds (distance) C4'-P energy: -16.046
bonds (distance) P-C4' energy: -22.220
flat angles C4'-P-C4' energy: -22.148
flat angles P-C4'-P energy: -7.218
tors. eta vs tors. theta energy: -10.125
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: 2
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -120.233377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.233377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.233377 (E_RNA)
where:
Base-Base interactions energy: -50.623
where: short stacking energy: -32.455
Base-Backbone interact. energy: -0.107
local terms energy: -69.503527
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -18.887
flat angles C4'-P-C4' energy: -22.997
flat angles P-C4'-P energy: -7.664
tors. eta vs tors. theta energy: -2.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -377.843909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.843909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.843909 (E_RNA)
where:
Base-Base interactions energy: -256.331
where: short stacking energy: -113.114
Base-Backbone interact. energy: -0.028
local terms energy: -121.484948
where:
bonds (distance) C4'-P energy: -21.913
bonds (distance) P-C4' energy: -25.220
flat angles C4'-P-C4' energy: -22.210
flat angles P-C4'-P energy: -17.336
tors. eta vs tors. theta energy: -34.806
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: 2, replica: 1
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -354.389536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.389536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.389536 (E_RNA)
where:
Base-Base interactions energy: -237.824
where: short stacking energy: -102.112
Base-Backbone interact. energy: -0.590
local terms energy: -115.975036
where:
bonds (distance) C4'-P energy: -21.034
bonds (distance) P-C4' energy: -22.682
flat angles C4'-P-C4' energy: -24.512
flat angles P-C4'-P energy: -17.962
tors. eta vs tors. theta energy: -29.784
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: 4
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -334.240958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.240958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.240958 (E_RNA)
where:
Base-Base interactions energy: -220.141
where: short stacking energy: -99.666
Base-Backbone interact. energy: -0.142
local terms energy: -113.958632
where:
bonds (distance) C4'-P energy: -20.221
bonds (distance) P-C4' energy: -26.231
flat angles C4'-P-C4' energy: -21.983
flat angles P-C4'-P energy: -17.136
tors. eta vs tors. theta energy: -28.387
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: 8
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -292.957457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.957457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.957457 (E_RNA)
where:
Base-Base interactions energy: -185.677
where: short stacking energy: -98.935
Base-Backbone interact. energy: -0.160
local terms energy: -107.120490
where:
bonds (distance) C4'-P energy: -22.048
bonds (distance) P-C4' energy: -23.437
flat angles C4'-P-C4' energy: -21.508
flat angles P-C4'-P energy: -14.248
tors. eta vs tors. theta energy: -25.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -283.176191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.176191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.176191 (E_RNA)
where:
Base-Base interactions energy: -184.082
where: short stacking energy: -84.780
Base-Backbone interact. energy: -1.440
local terms energy: -97.654297
where:
bonds (distance) C4'-P energy: -21.531
bonds (distance) P-C4' energy: -20.279
flat angles C4'-P-C4' energy: -24.269
flat angles P-C4'-P energy: -9.918
tors. eta vs tors. theta energy: -21.656
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: 7
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -256.030585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.030585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.030585 (E_RNA)
where:
Base-Base interactions energy: -157.590
where: short stacking energy: -69.837
Base-Backbone interact. energy: -0.100
local terms energy: -98.340429
where:
bonds (distance) C4'-P energy: -20.003
bonds (distance) P-C4' energy: -24.839
flat angles C4'-P-C4' energy: -20.084
flat angles P-C4'-P energy: -14.187
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: 7, replica: 9
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -250.599761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.599761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.599761 (E_RNA)
where:
Base-Base interactions energy: -157.249
where: short stacking energy: -63.806
Base-Backbone interact. energy: -0.311
local terms energy: -93.039573
where:
bonds (distance) C4'-P energy: -22.641
bonds (distance) P-C4' energy: -21.907
flat angles C4'-P-C4' energy: -17.716
flat angles P-C4'-P energy: -12.954
tors. eta vs tors. theta energy: -17.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -203.049454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.049454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.049454 (E_RNA)
where:
Base-Base interactions energy: -119.716
where: short stacking energy: -60.917
Base-Backbone interact. energy: -0.297
local terms energy: -83.035555
where:
bonds (distance) C4'-P energy: -18.696
bonds (distance) P-C4' energy: -20.627
flat angles C4'-P-C4' energy: -22.720
flat angles P-C4'-P energy: -11.870
tors. eta vs tors. theta energy: -9.123
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: 254
Temperature: 1.300000
Total energy: -201.264718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.264718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.264718 (E_RNA)
where:
Base-Base interactions energy: -117.071
where: short stacking energy: -56.611
Base-Backbone interact. energy: -0.210
local terms energy: -83.983003
where:
bonds (distance) C4'-P energy: -16.621
bonds (distance) P-C4' energy: -19.909
flat angles C4'-P-C4' energy: -22.194
flat angles P-C4'-P energy: -12.245
tors. eta vs tors. theta energy: -13.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -97.990259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.990259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.990259 (E_RNA)
where:
Base-Base interactions energy: -37.389
where: short stacking energy: -28.483
Base-Backbone interact. energy: -0.377
local terms energy: -60.224674
where:
bonds (distance) C4'-P energy: -17.216
bonds (distance) P-C4' energy: -24.818
flat angles C4'-P-C4' energy: -12.494
flat angles P-C4'-P energy: -8.354
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: 1, replica: 5
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -369.768862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.768862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.768862 (E_RNA)
where:
Base-Base interactions energy: -251.208
where: short stacking energy: -107.233
Base-Backbone interact. energy: -0.108
local terms energy: -118.453359
where:
bonds (distance) C4'-P energy: -21.291
bonds (distance) P-C4' energy: -22.300
flat angles C4'-P-C4' energy: -23.204
flat angles P-C4'-P energy: -16.822
tors. eta vs tors. theta energy: -34.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -349.776046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.776046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.776046 (E_RNA)
where:
Base-Base interactions energy: -230.842
where: short stacking energy: -104.257
Base-Backbone interact. energy: -0.504
local terms energy: -118.430137
where:
bonds (distance) C4'-P energy: -21.631
bonds (distance) P-C4' energy: -24.954
flat angles C4'-P-C4' energy: -23.202
flat angles P-C4'-P energy: -17.695
tors. eta vs tors. theta energy: -30.949
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: 3, replica: 1
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -352.882681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.882681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.882681 (E_RNA)
where:
Base-Base interactions energy: -243.069
where: short stacking energy: -98.379
Base-Backbone interact. energy: 2.190
local terms energy: -112.003422
where:
bonds (distance) C4'-P energy: -21.907
bonds (distance) P-C4' energy: -21.718
flat angles C4'-P-C4' energy: -23.755
flat angles P-C4'-P energy: -15.101
tors. eta vs tors. theta energy: -29.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -311.450100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.450100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.450100 (E_RNA)
where:
Base-Base interactions energy: -207.467
where: short stacking energy: -91.999
Base-Backbone interact. energy: -0.430
local terms energy: -103.553607
where:
bonds (distance) C4'-P energy: -19.276
bonds (distance) P-C4' energy: -26.160
flat angles C4'-P-C4' energy: -18.620
flat angles P-C4'-P energy: -16.304
tors. eta vs tors. theta energy: -23.194
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: 8
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -295.289417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.289417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.289417 (E_RNA)
where:
Base-Base interactions energy: -198.600
where: short stacking energy: -95.067
Base-Backbone interact. energy: -0.380
local terms energy: -96.309904
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -14.812
flat angles C4'-P-C4' energy: -23.848
flat angles P-C4'-P energy: -15.322
tors. eta vs tors. theta energy: -29.395
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: 255
Temperature: 1.150000
Total energy: -244.526796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.526796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.526796 (E_RNA)
where:
Base-Base interactions energy: -156.910
where: short stacking energy: -77.212
Base-Backbone interact. energy: -0.208
local terms energy: -87.409272
where:
bonds (distance) C4'-P energy: -18.932
bonds (distance) P-C4' energy: -21.284
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -12.690
tors. eta vs tors. theta energy: -19.487
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: 7
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -264.906577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.906577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.906577 (E_RNA)
where:
Base-Base interactions energy: -169.444
where: short stacking energy: -80.685
Base-Backbone interact. energy: -0.227
local terms energy: -95.235969
where:
bonds (distance) C4'-P energy: -24.019
bonds (distance) P-C4' energy: -21.678
flat angles C4'-P-C4' energy: -20.748
flat angles P-C4'-P energy: -13.272
tors. eta vs tors. theta energy: -15.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -210.814320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.814320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.814320 (E_RNA)
where:
Base-Base interactions energy: -126.850
where: short stacking energy: -64.669
Base-Backbone interact. energy: -0.494
local terms energy: -83.470954
where:
bonds (distance) C4'-P energy: -22.240
bonds (distance) P-C4' energy: -23.717
flat angles C4'-P-C4' energy: -21.013
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: -7.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -218.580139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.580139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.580139 (E_RNA)
where:
Base-Base interactions energy: -138.857
where: short stacking energy: -45.854
Base-Backbone interact. energy: -0.101
local terms energy: -79.622223
where:
bonds (distance) C4'-P energy: -16.796
bonds (distance) P-C4' energy: -24.117
flat angles C4'-P-C4' energy: -18.915
flat angles P-C4'-P energy: -12.675
tors. eta vs tors. theta energy: -7.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -114.265565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.265565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.265565 (E_RNA)
where:
Base-Base interactions energy: -42.121
where: short stacking energy: -40.527
Base-Backbone interact. energy: -0.299
local terms energy: -71.845226
where:
bonds (distance) C4'-P energy: -16.933
bonds (distance) P-C4' energy: -24.171
flat angles C4'-P-C4' energy: -12.013
flat angles P-C4'-P energy: -16.877
tors. eta vs tors. theta energy: -1.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -376.494079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.494079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.494079 (E_RNA)
where:
Base-Base interactions energy: -252.194
where: short stacking energy: -108.680
Base-Backbone interact. energy: -0.601
local terms energy: -123.699328
where:
bonds (distance) C4'-P energy: -21.216
bonds (distance) P-C4' energy: -27.520
flat angles C4'-P-C4' energy: -23.881
flat angles P-C4'-P energy: -19.056
tors. eta vs tors. theta energy: -32.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -361.135932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.135932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.135932 (E_RNA)
where:
Base-Base interactions energy: -242.936
where: short stacking energy: -105.186
Base-Backbone interact. energy: -0.180
local terms energy: -118.020068
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -22.242
flat angles C4'-P-C4' energy: -26.398
flat angles P-C4'-P energy: -17.393
tors. eta vs tors. theta energy: -35.935
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: 3, replica: 1
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -355.427593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.427593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.427593 (E_RNA)
where:
Base-Base interactions energy: -241.019
where: short stacking energy: -106.741
Base-Backbone interact. energy: -0.757
local terms energy: -113.651950
where:
bonds (distance) C4'-P energy: -24.131
bonds (distance) P-C4' energy: -22.305
flat angles C4'-P-C4' energy: -24.725
flat angles P-C4'-P energy: -13.104
tors. eta vs tors. theta energy: -29.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -309.030596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.030596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.030596 (E_RNA)
where:
Base-Base interactions energy: -201.807
where: short stacking energy: -89.704
Base-Backbone interact. energy: -0.166
local terms energy: -107.057272
where:
bonds (distance) C4'-P energy: -17.893
bonds (distance) P-C4' energy: -25.005
flat angles C4'-P-C4' energy: -22.184
flat angles P-C4'-P energy: -19.660
tors. eta vs tors. theta energy: -22.316
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: 5, replica: 9
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -251.362799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.362799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.362799 (E_RNA)
where:
Base-Base interactions energy: -159.684
where: short stacking energy: -75.036
Base-Backbone interact. energy: -0.373
local terms energy: -91.305692
where:
bonds (distance) C4'-P energy: -17.134
bonds (distance) P-C4' energy: -20.459
flat angles C4'-P-C4' energy: -26.870
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -16.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -273.877149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.877149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.877149 (E_RNA)
where:
Base-Base interactions energy: -179.196
where: short stacking energy: -91.590
Base-Backbone interact. energy: -0.388
local terms energy: -94.293432
where:
bonds (distance) C4'-P energy: -20.532
bonds (distance) P-C4' energy: -18.391
flat angles C4'-P-C4' energy: -20.998
flat angles P-C4'-P energy: -15.629
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: 7, replica: 7
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -258.251210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.251210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.251210 (E_RNA)
where:
Base-Base interactions energy: -165.524
where: short stacking energy: -66.676
Base-Backbone interact. energy: -0.235
local terms energy: -92.492075
where:
bonds (distance) C4'-P energy: -20.845
bonds (distance) P-C4' energy: -24.903
flat angles C4'-P-C4' energy: -19.548
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: -17.730
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: 8, replica: 3
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -206.770766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.770766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.770766 (E_RNA)
where:
Base-Base interactions energy: -126.092
where: short stacking energy: -65.221
Base-Backbone interact. energy: -0.107
local terms energy: -80.572094
where:
bonds (distance) C4'-P energy: -16.999
bonds (distance) P-C4' energy: -18.075
flat angles C4'-P-C4' energy: -12.730
flat angles P-C4'-P energy: -16.091
tors. eta vs tors. theta energy: -16.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -241.577565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.577565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.577565 (E_RNA)
where:
Base-Base interactions energy: -163.318
where: short stacking energy: -58.838
Base-Backbone interact. energy: 0.139
local terms energy: -78.399099
where:
bonds (distance) C4'-P energy: -19.059
bonds (distance) P-C4' energy: -20.238
flat angles C4'-P-C4' energy: -16.929
flat angles P-C4'-P energy: -13.312
tors. eta vs tors. theta energy: -8.861
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: 2
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -105.262135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.262135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.262135 (E_RNA)
where:
Base-Base interactions energy: -30.363
where: short stacking energy: -28.764
Base-Backbone interact. energy: -0.286
local terms energy: -74.612349
where:
bonds (distance) C4'-P energy: -22.682
bonds (distance) P-C4' energy: -23.730
flat angles C4'-P-C4' energy: -15.896
flat angles P-C4'-P energy: -12.629
tors. eta vs tors. theta energy: 0.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -369.373746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.373746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.373746 (E_RNA)
where:
Base-Base interactions energy: -256.993
where: short stacking energy: -109.139
Base-Backbone interact. energy: 0.553
local terms energy: -112.933410
where:
bonds (distance) C4'-P energy: -16.423
bonds (distance) P-C4' energy: -24.849
flat angles C4'-P-C4' energy: -21.642
flat angles P-C4'-P energy: -16.186
tors. eta vs tors. theta energy: -33.834
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: 4
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -332.366349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.366349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.366349 (E_RNA)
where:
Base-Base interactions energy: -223.007
where: short stacking energy: -90.719
Base-Backbone interact. energy: -0.483
local terms energy: -108.876304
where:
bonds (distance) C4'-P energy: -19.964
bonds (distance) P-C4' energy: -26.186
flat angles C4'-P-C4' energy: -18.894
flat angles P-C4'-P energy: -20.021
tors. eta vs tors. theta energy: -23.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -358.477458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.477458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.477458 (E_RNA)
where:
Base-Base interactions energy: -243.109
where: short stacking energy: -98.221
Base-Backbone interact. energy: -1.035
local terms energy: -114.333364
where:
bonds (distance) C4'-P energy: -20.816
bonds (distance) P-C4' energy: -21.735
flat angles C4'-P-C4' energy: -23.110
flat angles P-C4'-P energy: -18.481
tors. eta vs tors. theta energy: -30.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -315.831149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.831149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.831149 (E_RNA)
where:
Base-Base interactions energy: -201.117
where: short stacking energy: -79.441
Base-Backbone interact. energy: -0.739
local terms energy: -113.975598
where:
bonds (distance) C4'-P energy: -20.675
bonds (distance) P-C4' energy: -25.198
flat angles C4'-P-C4' energy: -21.210
flat angles P-C4'-P energy: -20.688
tors. eta vs tors. theta energy: -26.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -283.594058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.594058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.594058 (E_RNA)
where:
Base-Base interactions energy: -190.294
where: short stacking energy: -81.682
Base-Backbone interact. energy: -1.129
local terms energy: -92.170412
where:
bonds (distance) C4'-P energy: -19.010
bonds (distance) P-C4' energy: -19.751
flat angles C4'-P-C4' energy: -23.273
flat angles P-C4'-P energy: -11.037
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: 6, replica: 8
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -262.492800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.492800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.492800 (E_RNA)
where:
Base-Base interactions energy: -163.508
where: short stacking energy: -76.292
Base-Backbone interact. energy: -0.016
local terms energy: -98.968794
where:
bonds (distance) C4'-P energy: -19.108
bonds (distance) P-C4' energy: -25.299
flat angles C4'-P-C4' energy: -20.006
flat angles P-C4'-P energy: -12.683
tors. eta vs tors. theta energy: -21.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -251.308878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.308878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.308878 (E_RNA)
where:
Base-Base interactions energy: -165.708
where: short stacking energy: -72.253
Base-Backbone interact. energy: -0.555
local terms energy: -85.045978
where:
bonds (distance) C4'-P energy: -22.197
bonds (distance) P-C4' energy: -16.837
flat angles C4'-P-C4' energy: -19.911
flat angles P-C4'-P energy: -9.452
tors. eta vs tors. theta energy: -16.650
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: 10
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -238.275926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.275926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.275926 (E_RNA)
where:
Base-Base interactions energy: -155.660
where: short stacking energy: -69.336
Base-Backbone interact. energy: -0.119
local terms energy: -82.497556
where:
bonds (distance) C4'-P energy: -22.132
bonds (distance) P-C4' energy: -20.759
flat angles C4'-P-C4' energy: -18.601
flat angles P-C4'-P energy: -9.528
tors. eta vs tors. theta energy: -11.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -209.432813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.432813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.432813 (E_RNA)
where:
Base-Base interactions energy: -130.199
where: short stacking energy: -62.651
Base-Backbone interact. energy: 0.995
local terms energy: -80.229300
where:
bonds (distance) C4'-P energy: -13.431
bonds (distance) P-C4' energy: -24.654
flat angles C4'-P-C4' energy: -17.482
flat angles P-C4'-P energy: -11.771
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: 10, replica: 2
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -116.058501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.058501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.058501 (E_RNA)
where:
Base-Base interactions energy: -44.266
where: short stacking energy: -34.480
Base-Backbone interact. energy: -0.344
local terms energy: -71.448427
where:
bonds (distance) C4'-P energy: -15.380
bonds (distance) P-C4' energy: -19.261
flat angles C4'-P-C4' energy: -17.380
flat angles P-C4'-P energy: -14.115
tors. eta vs tors. theta energy: -5.313
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: 5
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -367.293148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.293148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.293148 (E_RNA)
where:
Base-Base interactions energy: -244.498
where: short stacking energy: -107.407
Base-Backbone interact. energy: -0.062
local terms energy: -122.732763
where:
bonds (distance) C4'-P energy: -24.024
bonds (distance) P-C4' energy: -25.170
flat angles C4'-P-C4' energy: -25.485
flat angles P-C4'-P energy: -15.158
tors. eta vs tors. theta energy: -32.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -333.305167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.305167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.305167 (E_RNA)
where:
Base-Base interactions energy: -223.492
where: short stacking energy: -96.324
Base-Backbone interact. energy: -0.402
local terms energy: -109.411263
where:
bonds (distance) C4'-P energy: -23.062
bonds (distance) P-C4' energy: -23.940
flat angles C4'-P-C4' energy: -20.670
flat angles P-C4'-P energy: -15.488
tors. eta vs tors. theta energy: -26.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -355.970129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.970129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.970129 (E_RNA)
where:
Base-Base interactions energy: -238.587
where: short stacking energy: -95.953
Base-Backbone interact. energy: -0.199
local terms energy: -117.184006
where:
bonds (distance) C4'-P energy: -21.395
bonds (distance) P-C4' energy: -24.043
flat angles C4'-P-C4' energy: -21.931
flat angles P-C4'-P energy: -19.591
tors. eta vs tors. theta energy: -30.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -296.414537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.414537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.414537 (E_RNA)
where:
Base-Base interactions energy: -209.443
where: short stacking energy: -73.256
Base-Backbone interact. energy: -0.833
local terms energy: -86.139193
where:
bonds (distance) C4'-P energy: -17.131
bonds (distance) P-C4' energy: -12.492
flat angles C4'-P-C4' energy: -21.198
flat angles P-C4'-P energy: -15.907
tors. eta vs tors. theta energy: -19.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -268.516793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.516793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.516793 (E_RNA)
where:
Base-Base interactions energy: -170.915
where: short stacking energy: -62.905
Base-Backbone interact. energy: 0.453
local terms energy: -98.054083
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -20.287
flat angles C4'-P-C4' energy: -25.525
flat angles P-C4'-P energy: -20.397
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: 6, replica: 8
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -267.899850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.899850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.899850 (E_RNA)
where:
Base-Base interactions energy: -170.752
where: short stacking energy: -83.574
Base-Backbone interact. energy: -0.469
local terms energy: -96.679366
where:
bonds (distance) C4'-P energy: -16.443
bonds (distance) P-C4' energy: -20.618
flat angles C4'-P-C4' energy: -24.483
flat angles P-C4'-P energy: -15.777
tors. eta vs tors. theta energy: -19.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -263.203698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.203698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.203698 (E_RNA)
where:
Base-Base interactions energy: -167.617
where: short stacking energy: -79.681
Base-Backbone interact. energy: -0.046
local terms energy: -95.540540
where:
bonds (distance) C4'-P energy: -20.293
bonds (distance) P-C4' energy: -19.576
flat angles C4'-P-C4' energy: -22.196
flat angles P-C4'-P energy: -14.813
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: 8, replica: 7
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -259.627548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.627548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.627548 (E_RNA)
where:
Base-Base interactions energy: -167.910
where: short stacking energy: -80.483
Base-Backbone interact. energy: -0.089
local terms energy: -91.628426
where:
bonds (distance) C4'-P energy: -19.444
bonds (distance) P-C4' energy: -20.560
flat angles C4'-P-C4' energy: -13.368
flat angles P-C4'-P energy: -14.834
tors. eta vs tors. theta energy: -23.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -198.327502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.327502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.327502 (E_RNA)
where:
Base-Base interactions energy: -118.345
where: short stacking energy: -50.383
Base-Backbone interact. energy: -0.089
local terms energy: -79.893623
where:
bonds (distance) C4'-P energy: -22.851
bonds (distance) P-C4' energy: -16.214
flat angles C4'-P-C4' energy: -23.023
flat angles P-C4'-P energy: -12.645
tors. eta vs tors. theta energy: -5.161
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: 2
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -106.125021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.125021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.125021 (E_RNA)
where:
Base-Base interactions energy: -37.888
where: short stacking energy: -28.044
Base-Backbone interact. energy: -0.754
local terms energy: -67.482771
where:
bonds (distance) C4'-P energy: -18.440
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -18.445
flat angles P-C4'-P energy: -10.136
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: 1, replica: 5
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -373.313624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.313624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.313624 (E_RNA)
where:
Base-Base interactions energy: -254.458
where: short stacking energy: -112.680
Base-Backbone interact. energy: -0.022
local terms energy: -118.833720
where:
bonds (distance) C4'-P energy: -23.985
bonds (distance) P-C4' energy: -25.084
flat angles C4'-P-C4' energy: -25.527
flat angles P-C4'-P energy: -12.003
tors. eta vs tors. theta energy: -32.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -355.010639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.010639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.010639 (E_RNA)
where:
Base-Base interactions energy: -234.374
where: short stacking energy: -101.866
Base-Backbone interact. energy: 0.122
local terms energy: -120.758711
where:
bonds (distance) C4'-P energy: -24.645
bonds (distance) P-C4' energy: -28.182
flat angles C4'-P-C4' energy: -23.383
flat angles P-C4'-P energy: -16.603
tors. eta vs tors. theta energy: -27.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -342.347785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.347785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.347785 (E_RNA)
where:
Base-Base interactions energy: -226.523
where: short stacking energy: -103.365
Base-Backbone interact. energy: -0.179
local terms energy: -115.645879
where:
bonds (distance) C4'-P energy: -19.095
bonds (distance) P-C4' energy: -22.872
flat angles C4'-P-C4' energy: -26.673
flat angles P-C4'-P energy: -18.929
tors. eta vs tors. theta energy: -28.077
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: 9
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -280.679608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.679608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.679608 (E_RNA)
where:
Base-Base interactions energy: -187.363
where: short stacking energy: -92.832
Base-Backbone interact. energy: -0.486
local terms energy: -92.830438
where:
bonds (distance) C4'-P energy: -17.196
bonds (distance) P-C4' energy: -22.979
flat angles C4'-P-C4' energy: -20.286
flat angles P-C4'-P energy: -10.807
tors. eta vs tors. theta energy: -21.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -268.553523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.553523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.553523 (E_RNA)
where:
Base-Base interactions energy: -168.133
where: short stacking energy: -82.613
Base-Backbone interact. energy: -0.513
local terms energy: -99.907275
where:
bonds (distance) C4'-P energy: -19.731
bonds (distance) P-C4' energy: -20.154
flat angles C4'-P-C4' energy: -25.527
flat angles P-C4'-P energy: -13.435
tors. eta vs tors. theta energy: -21.061
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: 8
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -265.739197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.739197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.739197 (E_RNA)
where:
Base-Base interactions energy: -173.922
where: short stacking energy: -83.106
Base-Backbone interact. energy: -0.138
local terms energy: -91.680003
where:
bonds (distance) C4'-P energy: -18.024
bonds (distance) P-C4' energy: -20.211
flat angles C4'-P-C4' energy: -19.912
flat angles P-C4'-P energy: -12.939
tors. eta vs tors. theta energy: -20.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -260.585027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.585027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.585027 (E_RNA)
where:
Base-Base interactions energy: -163.122
where: short stacking energy: -76.270
Base-Backbone interact. energy: -0.049
local terms energy: -97.414459
where:
bonds (distance) C4'-P energy: -21.908
bonds (distance) P-C4' energy: -22.602
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -16.877
tors. eta vs tors. theta energy: -21.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -261.042215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.042215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.042215 (E_RNA)
where:
Base-Base interactions energy: -179.256
where: short stacking energy: -80.989
Base-Backbone interact. energy: -0.205
local terms energy: -81.581479
where:
bonds (distance) C4'-P energy: -15.474
bonds (distance) P-C4' energy: -21.309
flat angles C4'-P-C4' energy: -17.052
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -19.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -217.397128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.397128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.397128 (E_RNA)
where:
Base-Base interactions energy: -139.879
where: short stacking energy: -59.760
Base-Backbone interact. energy: -0.446
local terms energy: -77.071987
where:
bonds (distance) C4'-P energy: -18.789
bonds (distance) P-C4' energy: -17.951
flat angles C4'-P-C4' energy: -22.507
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -7.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -128.614575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.614575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.614575 (E_RNA)
where:
Base-Base interactions energy: -39.100
where: short stacking energy: -35.147
Base-Backbone interact. energy: -0.416
local terms energy: -89.097855
where:
bonds (distance) C4'-P energy: -12.489
bonds (distance) P-C4' energy: -28.087
flat angles C4'-P-C4' energy: -21.403
flat angles P-C4'-P energy: -17.631
tors. eta vs tors. theta energy: -9.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -352.152102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.152102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.152102 (E_RNA)
where:
Base-Base interactions energy: -242.496
where: short stacking energy: -96.353
Base-Backbone interact. energy: -0.090
local terms energy: -109.565295
where:
bonds (distance) C4'-P energy: -20.045
bonds (distance) P-C4' energy: -24.514
flat angles C4'-P-C4' energy: -24.096
flat angles P-C4'-P energy: -16.140
tors. eta vs tors. theta energy: -24.770
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: 5
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -370.416107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.416107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.416107 (E_RNA)
where:
Base-Base interactions energy: -254.315
where: short stacking energy: -110.679
Base-Backbone interact. energy: -0.091
local terms energy: -116.010107
where:
bonds (distance) C4'-P energy: -18.622
bonds (distance) P-C4' energy: -25.328
flat angles C4'-P-C4' energy: -24.403
flat angles P-C4'-P energy: -15.471
tors. eta vs tors. theta energy: -32.186
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: 3, replica: 4
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -340.278451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.278451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.278451 (E_RNA)
where:
Base-Base interactions energy: -228.427
where: short stacking energy: -104.165
Base-Backbone interact. energy: 0.015
local terms energy: -111.866396
where:
bonds (distance) C4'-P energy: -22.825
bonds (distance) P-C4' energy: -22.843
flat angles C4'-P-C4' energy: -19.289
flat angles P-C4'-P energy: -17.424
tors. eta vs tors. theta energy: -29.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -280.127034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.127034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.127034 (E_RNA)
where:
Base-Base interactions energy: -167.423
where: short stacking energy: -83.829
Base-Backbone interact. energy: -0.105
local terms energy: -112.598519
where:
bonds (distance) C4'-P energy: -22.207
bonds (distance) P-C4' energy: -23.808
flat angles C4'-P-C4' energy: -27.352
flat angles P-C4'-P energy: -14.254
tors. eta vs tors. theta energy: -24.977
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: 8
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -261.787799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.787799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.787799 (E_RNA)
where:
Base-Base interactions energy: -165.012
where: short stacking energy: -66.630
Base-Backbone interact. energy: -0.238
local terms energy: -96.537531
where:
bonds (distance) C4'-P energy: -19.742
bonds (distance) P-C4' energy: -22.014
flat angles C4'-P-C4' energy: -21.610
flat angles P-C4'-P energy: -14.260
tors. eta vs tors. theta energy: -18.912
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: 6
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -252.920042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.920042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.920042 (E_RNA)
where:
Base-Base interactions energy: -165.402
where: short stacking energy: -71.426
Base-Backbone interact. energy: -0.311
local terms energy: -87.206183
where:
bonds (distance) C4'-P energy: -20.437
bonds (distance) P-C4' energy: -20.010
flat angles C4'-P-C4' energy: -20.753
flat angles P-C4'-P energy: -8.732
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: 7, replica: 7
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -301.125426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.125426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.125426 (E_RNA)
where:
Base-Base interactions energy: -203.960
where: short stacking energy: -85.976
Base-Backbone interact. energy: 0.007
local terms energy: -97.172127
where:
bonds (distance) C4'-P energy: -21.517
bonds (distance) P-C4' energy: -25.717
flat angles C4'-P-C4' energy: -19.490
flat angles P-C4'-P energy: -11.258
tors. eta vs tors. theta energy: -19.190
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: 10
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -244.716818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.716818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.716818 (E_RNA)
where:
Base-Base interactions energy: -153.751
where: short stacking energy: -72.801
Base-Backbone interact. energy: -0.474
local terms energy: -90.491808
where:
bonds (distance) C4'-P energy: -19.528
bonds (distance) P-C4' energy: -19.759
flat angles C4'-P-C4' energy: -21.285
flat angles P-C4'-P energy: -15.297
tors. eta vs tors. theta energy: -14.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -205.238995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.238995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.238995 (E_RNA)
where:
Base-Base interactions energy: -133.409
where: short stacking energy: -71.103
Base-Backbone interact. energy: -0.855
local terms energy: -70.974858
where:
bonds (distance) C4'-P energy: -12.511
bonds (distance) P-C4' energy: -22.267
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -7.557
tors. eta vs tors. theta energy: -12.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -104.998148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.998148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.998148 (E_RNA)
where:
Base-Base interactions energy: -45.141
where: short stacking energy: -25.769
Base-Backbone interact. energy: -0.813
local terms energy: -59.043746
where:
bonds (distance) C4'-P energy: -15.905
bonds (distance) P-C4' energy: -19.927
flat angles C4'-P-C4' energy: -17.141
flat angles P-C4'-P energy: -5.948
tors. eta vs tors. theta energy: -0.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -341.738406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.738406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.738406 (E_RNA)
where:
Base-Base interactions energy: -232.300
where: short stacking energy: -104.890
Base-Backbone interact. energy: 1.064
local terms energy: -110.502586
where:
bonds (distance) C4'-P energy: -18.910
bonds (distance) P-C4' energy: -25.816
flat angles C4'-P-C4' energy: -23.019
flat angles P-C4'-P energy: -16.722
tors. eta vs tors. theta energy: -26.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -358.947366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.947366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.947366 (E_RNA)
where:
Base-Base interactions energy: -234.583
where: short stacking energy: -104.079
Base-Backbone interact. energy: -0.204
local terms energy: -124.160151
where:
bonds (distance) C4'-P energy: -23.743
bonds (distance) P-C4' energy: -24.523
flat angles C4'-P-C4' energy: -26.594
flat angles P-C4'-P energy: -17.905
tors. eta vs tors. theta energy: -31.396
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: 3, replica: 4
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -337.557422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.557422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.557422 (E_RNA)
where:
Base-Base interactions energy: -220.463
where: short stacking energy: -102.632
Base-Backbone interact. energy: -0.688
local terms energy: -116.406725
where:
bonds (distance) C4'-P energy: -22.611
bonds (distance) P-C4' energy: -23.045
flat angles C4'-P-C4' energy: -21.644
flat angles P-C4'-P energy: -20.450
tors. eta vs tors. theta energy: -28.658
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: 4, replica: 8
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -293.784098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.784098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.784098 (E_RNA)
where:
Base-Base interactions energy: -188.285
where: short stacking energy: -84.446
Base-Backbone interact. energy: -0.006
local terms energy: -105.492827
where:
bonds (distance) C4'-P energy: -24.461
bonds (distance) P-C4' energy: -22.837
flat angles C4'-P-C4' energy: -18.228
flat angles P-C4'-P energy: -13.036
tors. eta vs tors. theta energy: -26.931
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: 9
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -280.808714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.808714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.808714 (E_RNA)
where:
Base-Base interactions energy: -187.853
where: short stacking energy: -74.079
Base-Backbone interact. energy: 2.211
local terms energy: -95.166730
where:
bonds (distance) C4'-P energy: -19.243
bonds (distance) P-C4' energy: -24.256
flat angles C4'-P-C4' energy: -20.905
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -19.187
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: 261
Temperature: 1.150000
Total energy: -261.333842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.333842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.333842 (E_RNA)
where:
Base-Base interactions energy: -165.803
where: short stacking energy: -77.834
Base-Backbone interact. energy: -0.112
local terms energy: -95.418807
where:
bonds (distance) C4'-P energy: -20.843
bonds (distance) P-C4' energy: -18.360
flat angles C4'-P-C4' energy: -25.600
flat angles P-C4'-P energy: -10.287
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: 7, replica: 7
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -269.606368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.606368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.606368 (E_RNA)
where:
Base-Base interactions energy: -180.809
where: short stacking energy: -79.138
Base-Backbone interact. energy: 0.522
local terms energy: -89.319860
where:
bonds (distance) C4'-P energy: -14.569
bonds (distance) P-C4' energy: -24.578
flat angles C4'-P-C4' energy: -16.521
flat angles P-C4'-P energy: -14.823
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: 8, replica: 3
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -236.575319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.575319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.575319 (E_RNA)
where:
Base-Base interactions energy: -150.222
where: short stacking energy: -65.219
Base-Backbone interact. energy: -0.891
local terms energy: -85.462832
where:
bonds (distance) C4'-P energy: -20.061
bonds (distance) P-C4' energy: -20.322
flat angles C4'-P-C4' energy: -20.701
flat angles P-C4'-P energy: -11.348
tors. eta vs tors. theta energy: -13.031
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: 10
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -213.605273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.605273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.605273 (E_RNA)
where:
Base-Base interactions energy: -127.660
where: short stacking energy: -62.823
Base-Backbone interact. energy: -0.184
local terms energy: -85.761318
where:
bonds (distance) C4'-P energy: -22.118
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -23.562
flat angles P-C4'-P energy: -10.180
tors. eta vs tors. theta energy: -13.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -130.542917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.542917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.542917 (E_RNA)
where:
Base-Base interactions energy: -68.542
where: short stacking energy: -47.747
Base-Backbone interact. energy: -0.997
local terms energy: -61.004313
where:
bonds (distance) C4'-P energy: -16.906
bonds (distance) P-C4' energy: -13.013
flat angles C4'-P-C4' energy: -15.352
flat angles P-C4'-P energy: -14.112
tors. eta vs tors. theta energy: -1.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -364.864031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.864031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.864031 (E_RNA)
where:
Base-Base interactions energy: -246.443
where: short stacking energy: -111.036
Base-Backbone interact. energy: -0.065
local terms energy: -118.356495
where:
bonds (distance) C4'-P energy: -23.121
bonds (distance) P-C4' energy: -21.579
flat angles C4'-P-C4' energy: -22.422
flat angles P-C4'-P energy: -17.886
tors. eta vs tors. theta energy: -33.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -351.554990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.554990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.554990 (E_RNA)
where:
Base-Base interactions energy: -233.634
where: short stacking energy: -109.047
Base-Backbone interact. energy: -0.222
local terms energy: -117.699069
where:
bonds (distance) C4'-P energy: -23.007
bonds (distance) P-C4' energy: -23.611
flat angles C4'-P-C4' energy: -23.693
flat angles P-C4'-P energy: -16.621
tors. eta vs tors. theta energy: -30.767
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: 4
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -339.866492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.866492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.866492 (E_RNA)
where:
Base-Base interactions energy: -230.360
where: short stacking energy: -109.420
Base-Backbone interact. energy: -0.188
local terms energy: -109.318616
where:
bonds (distance) C4'-P energy: -14.162
bonds (distance) P-C4' energy: -21.738
flat angles C4'-P-C4' energy: -24.202
flat angles P-C4'-P energy: -13.992
tors. eta vs tors. theta energy: -35.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -287.141915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.141915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.141915 (E_RNA)
where:
Base-Base interactions energy: -180.641
where: short stacking energy: -96.981
Base-Backbone interact. energy: -0.642
local terms energy: -105.858165
where:
bonds (distance) C4'-P energy: -23.907
bonds (distance) P-C4' energy: -24.933
flat angles C4'-P-C4' energy: -24.425
flat angles P-C4'-P energy: -9.495
tors. eta vs tors. theta energy: -23.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -292.197712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.197712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.197712 (E_RNA)
where:
Base-Base interactions energy: -190.582
where: short stacking energy: -74.215
Base-Backbone interact. energy: -2.126
local terms energy: -99.490390
where:
bonds (distance) C4'-P energy: -19.540
bonds (distance) P-C4' energy: -22.468
flat angles C4'-P-C4' energy: -24.368
flat angles P-C4'-P energy: -12.328
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: 6, replica: 6
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -273.388912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.388912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.388912 (E_RNA)
where:
Base-Base interactions energy: -179.907
where: short stacking energy: -71.567
Base-Backbone interact. energy: 0.074
local terms energy: -93.556489
where:
bonds (distance) C4'-P energy: -22.388
bonds (distance) P-C4' energy: -25.516
flat angles C4'-P-C4' energy: -17.555
flat angles P-C4'-P energy: -15.115
tors. eta vs tors. theta energy: -12.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -264.002463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.002463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.002463 (E_RNA)
where:
Base-Base interactions energy: -167.417
where: short stacking energy: -69.307
Base-Backbone interact. energy: -0.366
local terms energy: -96.219752
where:
bonds (distance) C4'-P energy: -21.501
bonds (distance) P-C4' energy: -24.908
flat angles C4'-P-C4' energy: -21.913
flat angles P-C4'-P energy: -18.061
tors. eta vs tors. theta energy: -9.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -242.196116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.196116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.196116 (E_RNA)
where:
Base-Base interactions energy: -150.792
where: short stacking energy: -71.086
Base-Backbone interact. energy: -0.086
local terms energy: -91.317529
where:
bonds (distance) C4'-P energy: -13.843
bonds (distance) P-C4' energy: -19.598
flat angles C4'-P-C4' energy: -22.986
flat angles P-C4'-P energy: -18.513
tors. eta vs tors. theta energy: -16.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -189.214262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.214262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.214262 (E_RNA)
where:
Base-Base interactions energy: -110.319
where: short stacking energy: -54.802
Base-Backbone interact. energy: 0.056
local terms energy: -78.950642
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -24.609
flat angles C4'-P-C4' energy: -17.175
flat angles P-C4'-P energy: -18.358
tors. eta vs tors. theta energy: -2.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -125.456858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.456858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.456858 (E_RNA)
where:
Base-Base interactions energy: -48.959
where: short stacking energy: -38.989
Base-Backbone interact. energy: -0.509
local terms energy: -75.988977
where:
bonds (distance) C4'-P energy: -22.608
bonds (distance) P-C4' energy: -20.702
flat angles C4'-P-C4' energy: -14.232
flat angles P-C4'-P energy: -12.915
tors. eta vs tors. theta energy: -5.533
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: 5
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -370.772480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.772480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.772480 (E_RNA)
where:
Base-Base interactions energy: -249.635
where: short stacking energy: -114.741
Base-Backbone interact. energy: -0.012
local terms energy: -121.125143
where:
bonds (distance) C4'-P energy: -21.441
bonds (distance) P-C4' energy: -23.980
flat angles C4'-P-C4' energy: -25.978
flat angles P-C4'-P energy: -16.528
tors. eta vs tors. theta energy: -33.199
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: 2, replica: 4
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -343.733802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.733802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.733802 (E_RNA)
where:
Base-Base interactions energy: -233.264
where: short stacking energy: -108.282
Base-Backbone interact. energy: -0.939
local terms energy: -109.530335
where:
bonds (distance) C4'-P energy: -17.293
bonds (distance) P-C4' energy: -22.699
flat angles C4'-P-C4' energy: -19.038
flat angles P-C4'-P energy: -20.268
tors. eta vs tors. theta energy: -30.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -331.488018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.488018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.488018 (E_RNA)
where:
Base-Base interactions energy: -218.238
where: short stacking energy: -104.421
Base-Backbone interact. energy: 0.184
local terms energy: -113.434241
where:
bonds (distance) C4'-P energy: -18.322
bonds (distance) P-C4' energy: -23.064
flat angles C4'-P-C4' energy: -26.700
flat angles P-C4'-P energy: -13.830
tors. eta vs tors. theta energy: -31.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -291.040987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.040987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.040987 (E_RNA)
where:
Base-Base interactions energy: -183.596
where: short stacking energy: -89.338
Base-Backbone interact. energy: -0.115
local terms energy: -107.329571
where:
bonds (distance) C4'-P energy: -21.470
bonds (distance) P-C4' energy: -22.244
flat angles C4'-P-C4' energy: -20.020
flat angles P-C4'-P energy: -18.106
tors. eta vs tors. theta energy: -25.490
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: 8
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -279.946349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.946349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.946349 (E_RNA)
where:
Base-Base interactions energy: -177.793
where: short stacking energy: -78.771
Base-Backbone interact. energy: 0.194
local terms energy: -102.347009
where:
bonds (distance) C4'-P energy: -20.141
bonds (distance) P-C4' energy: -20.489
flat angles C4'-P-C4' energy: -22.870
flat angles P-C4'-P energy: -15.664
tors. eta vs tors. theta energy: -23.183
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: 6
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -258.529350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.529350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.529350 (E_RNA)
where:
Base-Base interactions energy: -164.709
where: short stacking energy: -73.473
Base-Backbone interact. energy: 0.308
local terms energy: -94.128659
where:
bonds (distance) C4'-P energy: -23.025
bonds (distance) P-C4' energy: -23.037
flat angles C4'-P-C4' energy: -19.603
flat angles P-C4'-P energy: -8.792
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: 7, replica: 3
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -254.220130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.220130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.220130 (E_RNA)
where:
Base-Base interactions energy: -167.211
where: short stacking energy: -67.752
Base-Backbone interact. energy: -0.287
local terms energy: -86.721628
where:
bonds (distance) C4'-P energy: -23.040
bonds (distance) P-C4' energy: -22.698
flat angles C4'-P-C4' energy: -17.169
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: -12.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -213.612734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.612734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.612734 (E_RNA)
where:
Base-Base interactions energy: -131.854
where: short stacking energy: -67.751
Base-Backbone interact. energy: 0.151
local terms energy: -81.909724
where:
bonds (distance) C4'-P energy: -20.964
bonds (distance) P-C4' energy: -22.558
flat angles C4'-P-C4' energy: -19.094
flat angles P-C4'-P energy: -10.874
tors. eta vs tors. theta energy: -8.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -202.181223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.181223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.181223 (E_RNA)
where:
Base-Base interactions energy: -112.206
where: short stacking energy: -51.858
Base-Backbone interact. energy: 0.212
local terms energy: -90.187339
where:
bonds (distance) C4'-P energy: -23.294
bonds (distance) P-C4' energy: -19.291
flat angles C4'-P-C4' energy: -23.713
flat angles P-C4'-P energy: -8.995
tors. eta vs tors. theta energy: -14.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -116.596399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.596399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.596399 (E_RNA)
where:
Base-Base interactions energy: -38.758
where: short stacking energy: -34.364
Base-Backbone interact. energy: -0.207
local terms energy: -77.631171
where:
bonds (distance) C4'-P energy: -20.251
bonds (distance) P-C4' energy: -24.554
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -13.298
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: 5
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -364.603452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.603452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.603452 (E_RNA)
where:
Base-Base interactions energy: -251.714
where: short stacking energy: -108.028
Base-Backbone interact. energy: -0.086
local terms energy: -112.803119
where:
bonds (distance) C4'-P energy: -19.187
bonds (distance) P-C4' energy: -22.181
flat angles C4'-P-C4' energy: -23.618
flat angles P-C4'-P energy: -15.675
tors. eta vs tors. theta energy: -32.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -334.951685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.951685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.951685 (E_RNA)
where:
Base-Base interactions energy: -225.390
where: short stacking energy: -99.047
Base-Backbone interact. energy: -0.186
local terms energy: -109.375512
where:
bonds (distance) C4'-P energy: -21.119
bonds (distance) P-C4' energy: -18.948
flat angles C4'-P-C4' energy: -21.040
flat angles P-C4'-P energy: -19.933
tors. eta vs tors. theta energy: -28.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -327.919175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.919175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.919175 (E_RNA)
where:
Base-Base interactions energy: -220.736
where: short stacking energy: -101.120
Base-Backbone interact. energy: -0.430
local terms energy: -106.753167
where:
bonds (distance) C4'-P energy: -23.165
bonds (distance) P-C4' energy: -14.702
flat angles C4'-P-C4' energy: -24.390
flat angles P-C4'-P energy: -15.242
tors. eta vs tors. theta energy: -29.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -277.416379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.416379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.416379 (E_RNA)
where:
Base-Base interactions energy: -177.844
where: short stacking energy: -83.265
Base-Backbone interact. energy: -0.134
local terms energy: -99.438918
where:
bonds (distance) C4'-P energy: -21.502
bonds (distance) P-C4' energy: -22.099
flat angles C4'-P-C4' energy: -24.897
flat angles P-C4'-P energy: -10.887
tors. eta vs tors. theta energy: -20.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -275.646667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.646667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.646667 (E_RNA)
where:
Base-Base interactions energy: -170.455
where: short stacking energy: -83.007
Base-Backbone interact. energy: 0.022
local terms energy: -105.213784
where:
bonds (distance) C4'-P energy: -20.856
bonds (distance) P-C4' energy: -21.243
flat angles C4'-P-C4' energy: -23.586
flat angles P-C4'-P energy: -17.755
tors. eta vs tors. theta energy: -21.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -268.487266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.487266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.487266 (E_RNA)
where:
Base-Base interactions energy: -171.515
where: short stacking energy: -81.698
Base-Backbone interact. energy: -1.305
local terms energy: -95.666469
where:
bonds (distance) C4'-P energy: -23.876
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -22.913
flat angles P-C4'-P energy: -11.125
tors. eta vs tors. theta energy: -21.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -267.617280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.617280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.617280 (E_RNA)
where:
Base-Base interactions energy: -171.828
where: short stacking energy: -70.444
Base-Backbone interact. energy: 0.364
local terms energy: -96.153501
where:
bonds (distance) C4'-P energy: -16.676
bonds (distance) P-C4' energy: -25.343
flat angles C4'-P-C4' energy: -20.964
flat angles P-C4'-P energy: -11.133
tors. eta vs tors. theta energy: -22.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -210.028464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.028464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.028464 (E_RNA)
where:
Base-Base interactions energy: -125.810
where: short stacking energy: -65.801
Base-Backbone interact. energy: 0.859
local terms energy: -85.077098
where:
bonds (distance) C4'-P energy: -23.374
bonds (distance) P-C4' energy: -20.352
flat angles C4'-P-C4' energy: -15.695
flat angles P-C4'-P energy: -13.465
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: 9, replica: 10
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -198.181565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.181565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.181565 (E_RNA)
where:
Base-Base interactions energy: -118.682
where: short stacking energy: -62.998
Base-Backbone interact. energy: -0.127
local terms energy: -79.372792
where:
bonds (distance) C4'-P energy: -17.180
bonds (distance) P-C4' energy: -23.901
flat angles C4'-P-C4' energy: -16.643
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -11.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -108.110095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.110095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.110095 (E_RNA)
where:
Base-Base interactions energy: -46.654
where: short stacking energy: -16.011
Base-Backbone interact. energy: -1.103
local terms energy: -60.353089
where:
bonds (distance) C4'-P energy: -18.004
bonds (distance) P-C4' energy: -19.693
flat angles C4'-P-C4' energy: -16.478
flat angles P-C4'-P energy: -14.165
tors. eta vs tors. theta energy: 7.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -369.961427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.961427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.961427 (E_RNA)
where:
Base-Base interactions energy: -253.389
where: short stacking energy: -114.942
Base-Backbone interact. energy: -0.135
local terms energy: -116.436551
where:
bonds (distance) C4'-P energy: -22.660
bonds (distance) P-C4' energy: -24.968
flat angles C4'-P-C4' energy: -21.156
flat angles P-C4'-P energy: -14.192
tors. eta vs tors. theta energy: -33.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -342.858414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.858414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.858414 (E_RNA)
where:
Base-Base interactions energy: -229.204
where: short stacking energy: -90.994
Base-Backbone interact. energy: -0.517
local terms energy: -113.138217
where:
bonds (distance) C4'-P energy: -23.144
bonds (distance) P-C4' energy: -22.672
flat angles C4'-P-C4' energy: -22.652
flat angles P-C4'-P energy: -18.678
tors. eta vs tors. theta energy: -25.991
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: 1
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -335.409606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.409606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.409606 (E_RNA)
where:
Base-Base interactions energy: -231.583
where: short stacking energy: -100.534
Base-Backbone interact. energy: -0.454
local terms energy: -103.372046
where:
bonds (distance) C4'-P energy: -22.178
bonds (distance) P-C4' energy: -20.774
flat angles C4'-P-C4' energy: -21.780
flat angles P-C4'-P energy: -12.618
tors. eta vs tors. theta energy: -26.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -278.722501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.722501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.722501 (E_RNA)
where:
Base-Base interactions energy: -173.292
where: short stacking energy: -84.632
Base-Backbone interact. energy: -0.490
local terms energy: -104.940789
where:
bonds (distance) C4'-P energy: -24.246
bonds (distance) P-C4' energy: -24.457
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -17.836
tors. eta vs tors. theta energy: -22.219
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: 5, replica: 9
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -262.317020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.317020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.317020 (E_RNA)
where:
Base-Base interactions energy: -175.592
where: short stacking energy: -72.906
Base-Backbone interact. energy: -0.860
local terms energy: -85.864520
where:
bonds (distance) C4'-P energy: -19.818
bonds (distance) P-C4' energy: -24.029
flat angles C4'-P-C4' energy: -20.442
flat angles P-C4'-P energy: -12.299
tors. eta vs tors. theta energy: -9.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -261.521093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.521093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.521093 (E_RNA)
where:
Base-Base interactions energy: -167.477
where: short stacking energy: -85.868
Base-Backbone interact. energy: 1.350
local terms energy: -95.394274
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -17.708
flat angles C4'-P-C4' energy: -21.234
flat angles P-C4'-P energy: -18.551
tors. eta vs tors. theta energy: -24.742
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: 265
Temperature: 1.200000
Total energy: -250.345100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.345100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.345100 (E_RNA)
where:
Base-Base interactions energy: -157.973
where: short stacking energy: -66.459
Base-Backbone interact. energy: 0.818
local terms energy: -93.190856
where:
bonds (distance) C4'-P energy: -24.976
bonds (distance) P-C4' energy: -17.493
flat angles C4'-P-C4' energy: -23.494
flat angles P-C4'-P energy: -9.892
tors. eta vs tors. theta energy: -17.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -226.558957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.558957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.558957 (E_RNA)
where:
Base-Base interactions energy: -130.435
where: short stacking energy: -68.439
Base-Backbone interact. energy: -0.046
local terms energy: -96.078185
where:
bonds (distance) C4'-P energy: -21.866
bonds (distance) P-C4' energy: -22.664
flat angles C4'-P-C4' energy: -19.749
flat angles P-C4'-P energy: -12.633
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: 9, replica: 10
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -205.719208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.719208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.719208 (E_RNA)
where:
Base-Base interactions energy: -118.996
where: short stacking energy: -69.909
Base-Backbone interact. energy: -0.137
local terms energy: -86.586308
where:
bonds (distance) C4'-P energy: -17.512
bonds (distance) P-C4' energy: -24.963
flat angles C4'-P-C4' energy: -16.741
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: -16.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -113.622382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.622382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.622382 (E_RNA)
where:
Base-Base interactions energy: -36.079
where: short stacking energy: -26.370
Base-Backbone interact. energy: -0.463
local terms energy: -77.080551
where:
bonds (distance) C4'-P energy: -17.155
bonds (distance) P-C4' energy: -22.393
flat angles C4'-P-C4' energy: -22.357
flat angles P-C4'-P energy: -13.449
tors. eta vs tors. theta energy: -1.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -364.449706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.449706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.449706 (E_RNA)
where:
Base-Base interactions energy: -247.713
where: short stacking energy: -112.880
Base-Backbone interact. energy: 0.646
local terms energy: -117.382413
where:
bonds (distance) C4'-P energy: -21.402
bonds (distance) P-C4' energy: -21.254
flat angles C4'-P-C4' energy: -22.529
flat angles P-C4'-P energy: -18.128
tors. eta vs tors. theta energy: -34.069
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: 2, replica: 4
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -345.576524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.576524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.576524 (E_RNA)
where:
Base-Base interactions energy: -237.785
where: short stacking energy: -96.899
Base-Backbone interact. energy: -0.082
local terms energy: -107.709394
where:
bonds (distance) C4'-P energy: -18.132
bonds (distance) P-C4' energy: -21.008
flat angles C4'-P-C4' energy: -24.163
flat angles P-C4'-P energy: -17.049
tors. eta vs tors. theta energy: -27.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -338.511667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.511667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.511667 (E_RNA)
where:
Base-Base interactions energy: -227.744
where: short stacking energy: -102.304
Base-Backbone interact. energy: -0.199
local terms energy: -110.568231
where:
bonds (distance) C4'-P energy: -20.715
bonds (distance) P-C4' energy: -26.826
flat angles C4'-P-C4' energy: -21.331
flat angles P-C4'-P energy: -12.375
tors. eta vs tors. theta energy: -29.321
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: 8
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -289.651671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.651671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.651671 (E_RNA)
where:
Base-Base interactions energy: -185.007
where: short stacking energy: -86.380
Base-Backbone interact. energy: -0.328
local terms energy: -104.316674
where:
bonds (distance) C4'-P energy: -22.569
bonds (distance) P-C4' energy: -17.242
flat angles C4'-P-C4' energy: -18.540
flat angles P-C4'-P energy: -18.804
tors. eta vs tors. theta energy: -27.161
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: 266
Temperature: 1.100000
Total energy: -276.206287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.206287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.206287 (E_RNA)
where:
Base-Base interactions energy: -176.519
where: short stacking energy: -85.742
Base-Backbone interact. energy: 1.569
local terms energy: -101.255769
where:
bonds (distance) C4'-P energy: -22.829
bonds (distance) P-C4' energy: -14.540
flat angles C4'-P-C4' energy: -19.871
flat angles P-C4'-P energy: -19.841
tors. eta vs tors. theta energy: -24.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -266.404481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.404481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.404481 (E_RNA)
where:
Base-Base interactions energy: -175.406
where: short stacking energy: -73.842
Base-Backbone interact. energy: -1.127
local terms energy: -89.870838
where:
bonds (distance) C4'-P energy: -15.768
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -25.120
flat angles P-C4'-P energy: -15.655
tors. eta vs tors. theta energy: -16.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -265.797035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.797035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.797035 (E_RNA)
where:
Base-Base interactions energy: -157.557
where: short stacking energy: -81.350
Base-Backbone interact. energy: -0.955
local terms energy: -107.284800
where:
bonds (distance) C4'-P energy: -22.110
bonds (distance) P-C4' energy: -18.710
flat angles C4'-P-C4' energy: -27.984
flat angles P-C4'-P energy: -13.208
tors. eta vs tors. theta energy: -25.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -209.583622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.583622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.583622 (E_RNA)
where:
Base-Base interactions energy: -122.537
where: short stacking energy: -57.446
Base-Backbone interact. energy: -0.287
local terms energy: -86.760297
where:
bonds (distance) C4'-P energy: -18.900
bonds (distance) P-C4' energy: -22.058
flat angles C4'-P-C4' energy: -20.695
flat angles P-C4'-P energy: -14.177
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: 9, replica: 10
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -198.022286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.022286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.022286 (E_RNA)
where:
Base-Base interactions energy: -113.419
where: short stacking energy: -58.471
Base-Backbone interact. energy: -1.033
local terms energy: -83.570667
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -22.909
flat angles C4'-P-C4' energy: -19.830
flat angles P-C4'-P energy: -13.794
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: 10, replica: 2
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -117.023453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.023453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.023453 (E_RNA)
where:
Base-Base interactions energy: -43.696
where: short stacking energy: -40.105
Base-Backbone interact. energy: -0.960
local terms energy: -72.367065
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -22.738
flat angles C4'-P-C4' energy: -16.488
flat angles P-C4'-P energy: -12.156
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: 1, replica: 5
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -366.789457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.789457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.789457 (E_RNA)
where:
Base-Base interactions energy: -251.655
where: short stacking energy: -118.640
Base-Backbone interact. energy: 0.096
local terms energy: -115.230402
where:
bonds (distance) C4'-P energy: -21.892
bonds (distance) P-C4' energy: -22.464
flat angles C4'-P-C4' energy: -21.323
flat angles P-C4'-P energy: -17.913
tors. eta vs tors. theta energy: -31.639
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: 1
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -341.371505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.371505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.371505 (E_RNA)
where:
Base-Base interactions energy: -228.143
where: short stacking energy: -102.676
Base-Backbone interact. energy: -0.186
local terms energy: -113.042658
where:
bonds (distance) C4'-P energy: -17.949
bonds (distance) P-C4' energy: -22.571
flat angles C4'-P-C4' energy: -23.718
flat angles P-C4'-P energy: -19.078
tors. eta vs tors. theta energy: -29.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -350.308520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.308520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.308520 (E_RNA)
where:
Base-Base interactions energy: -238.911
where: short stacking energy: -100.708
Base-Backbone interact. energy: 1.317
local terms energy: -112.715165
where:
bonds (distance) C4'-P energy: -20.322
bonds (distance) P-C4' energy: -19.199
flat angles C4'-P-C4' energy: -24.564
flat angles P-C4'-P energy: -17.773
tors. eta vs tors. theta energy: -30.857
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: 3
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -294.209455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.209455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.209455 (E_RNA)
where:
Base-Base interactions energy: -185.438
where: short stacking energy: -84.738
Base-Backbone interact. energy: -0.501
local terms energy: -108.270385
where:
bonds (distance) C4'-P energy: -17.579
bonds (distance) P-C4' energy: -25.970
flat angles C4'-P-C4' energy: -22.208
flat angles P-C4'-P energy: -16.919
tors. eta vs tors. theta energy: -25.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -287.415446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.415446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.415446 (E_RNA)
where:
Base-Base interactions energy: -184.346
where: short stacking energy: -89.720
Base-Backbone interact. energy: -0.171
local terms energy: -102.898321
where:
bonds (distance) C4'-P energy: -17.837
bonds (distance) P-C4' energy: -24.422
flat angles C4'-P-C4' energy: -18.737
flat angles P-C4'-P energy: -14.361
tors. eta vs tors. theta energy: -27.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -257.621167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.621167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.621167 (E_RNA)
where:
Base-Base interactions energy: -164.906
where: short stacking energy: -63.523
Base-Backbone interact. energy: -1.046
local terms energy: -91.669286
where:
bonds (distance) C4'-P energy: -22.313
bonds (distance) P-C4' energy: -21.849
flat angles C4'-P-C4' energy: -22.176
flat angles P-C4'-P energy: -16.113
tors. eta vs tors. theta energy: -9.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -262.654899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.654899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.654899 (E_RNA)
where:
Base-Base interactions energy: -168.831
where: short stacking energy: -89.322
Base-Backbone interact. energy: -0.405
local terms energy: -93.418603
where:
bonds (distance) C4'-P energy: -16.956
bonds (distance) P-C4' energy: -17.030
flat angles C4'-P-C4' energy: -19.429
flat angles P-C4'-P energy: -14.256
tors. eta vs tors. theta energy: -25.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -234.497244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.497244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.497244 (E_RNA)
where:
Base-Base interactions energy: -140.960
where: short stacking energy: -67.961
Base-Backbone interact. energy: -0.077
local terms energy: -93.459969
where:
bonds (distance) C4'-P energy: -25.170
bonds (distance) P-C4' energy: -22.823
flat angles C4'-P-C4' energy: -14.529
flat angles P-C4'-P energy: -12.085
tors. eta vs tors. theta energy: -18.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -203.218417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.218417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.218417 (E_RNA)
where:
Base-Base interactions energy: -106.065
where: short stacking energy: -56.929
Base-Backbone interact. energy: 0.649
local terms energy: -97.802631
where:
bonds (distance) C4'-P energy: -23.857
bonds (distance) P-C4' energy: -22.923
flat angles C4'-P-C4' energy: -19.220
flat angles P-C4'-P energy: -18.259
tors. eta vs tors. theta energy: -13.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -103.758642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.758642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.758642 (E_RNA)
where:
Base-Base interactions energy: -35.400
where: short stacking energy: -33.135
Base-Backbone interact. energy: -1.352
local terms energy: -67.006607
where:
bonds (distance) C4'-P energy: -22.557
bonds (distance) P-C4' energy: -22.841
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -9.708
tors. eta vs tors. theta energy: 1.776
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: 5
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -363.373063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.373063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.373063 (E_RNA)
where:
Base-Base interactions energy: -248.857
where: short stacking energy: -108.212
Base-Backbone interact. energy: -0.009
local terms energy: -114.506875
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -21.991
flat angles C4'-P-C4' energy: -23.826
flat angles P-C4'-P energy: -18.385
tors. eta vs tors. theta energy: -33.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -338.351190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.351190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.351190 (E_RNA)
where:
Base-Base interactions energy: -232.299
where: short stacking energy: -103.459
Base-Backbone interact. energy: -0.201
local terms energy: -105.851511
where:
bonds (distance) C4'-P energy: -21.639
bonds (distance) P-C4' energy: -23.975
flat angles C4'-P-C4' energy: -18.282
flat angles P-C4'-P energy: -12.670
tors. eta vs tors. theta energy: -29.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -344.632879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.632879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.632879 (E_RNA)
where:
Base-Base interactions energy: -221.437
where: short stacking energy: -100.791
Base-Backbone interact. energy: 0.265
local terms energy: -123.460372
where:
bonds (distance) C4'-P energy: -22.488
bonds (distance) P-C4' energy: -24.632
flat angles C4'-P-C4' energy: -26.397
flat angles P-C4'-P energy: -15.347
tors. eta vs tors. theta energy: -34.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -282.747827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.747827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.747827 (E_RNA)
where:
Base-Base interactions energy: -178.341
where: short stacking energy: -81.750
Base-Backbone interact. energy: -0.089
local terms energy: -104.318102
where:
bonds (distance) C4'-P energy: -21.924
bonds (distance) P-C4' energy: -22.267
flat angles C4'-P-C4' energy: -21.557
flat angles P-C4'-P energy: -13.913
tors. eta vs tors. theta energy: -24.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -279.241925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.241925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.241925 (E_RNA)
where:
Base-Base interactions energy: -181.058
where: short stacking energy: -80.341
Base-Backbone interact. energy: -0.610
local terms energy: -97.573478
where:
bonds (distance) C4'-P energy: -19.358
bonds (distance) P-C4' energy: -21.555
flat angles C4'-P-C4' energy: -25.074
flat angles P-C4'-P energy: -13.762
tors. eta vs tors. theta energy: -17.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -265.450036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.450036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.450036 (E_RNA)
where:
Base-Base interactions energy: -179.923
where: short stacking energy: -89.694
Base-Backbone interact. energy: -0.260
local terms energy: -85.267507
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -14.687
flat angles C4'-P-C4' energy: -17.402
flat angles P-C4'-P energy: -10.061
tors. eta vs tors. theta energy: -27.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -255.949341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.949341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.949341 (E_RNA)
where:
Base-Base interactions energy: -157.433
where: short stacking energy: -72.345
Base-Backbone interact. energy: -0.610
local terms energy: -97.906379
where:
bonds (distance) C4'-P energy: -23.817
bonds (distance) P-C4' energy: -19.034
flat angles C4'-P-C4' energy: -23.765
flat angles P-C4'-P energy: -15.140
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: 8, replica: 7
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -245.645893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.645893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.645893 (E_RNA)
where:
Base-Base interactions energy: -157.673
where: short stacking energy: -78.903
Base-Backbone interact. energy: -0.021
local terms energy: -87.952536
where:
bonds (distance) C4'-P energy: -17.777
bonds (distance) P-C4' energy: -20.362
flat angles C4'-P-C4' energy: -23.407
flat angles P-C4'-P energy: -7.412
tors. eta vs tors. theta energy: -18.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -206.328762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.328762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.328762 (E_RNA)
where:
Base-Base interactions energy: -129.648
where: short stacking energy: -66.201
Base-Backbone interact. energy: -0.110
local terms energy: -76.571023
where:
bonds (distance) C4'-P energy: -17.690
bonds (distance) P-C4' energy: -20.768
flat angles C4'-P-C4' energy: -16.676
flat angles P-C4'-P energy: -8.002
tors. eta vs tors. theta energy: -13.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -133.970260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.970260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.970260 (E_RNA)
where:
Base-Base interactions energy: -68.691
where: short stacking energy: -38.650
Base-Backbone interact. energy: 0.799
local terms energy: -66.078945
where:
bonds (distance) C4'-P energy: -13.371
bonds (distance) P-C4' energy: -23.797
flat angles C4'-P-C4' energy: -18.057
flat angles P-C4'-P energy: -9.344
tors. eta vs tors. theta energy: -1.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -375.287221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.287221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.287221 (E_RNA)
where:
Base-Base interactions energy: -254.737
where: short stacking energy: -114.192
Base-Backbone interact. energy: -0.004
local terms energy: -120.546481
where:
bonds (distance) C4'-P energy: -23.761
bonds (distance) P-C4' energy: -24.483
flat angles C4'-P-C4' energy: -24.472
flat angles P-C4'-P energy: -16.726
tors. eta vs tors. theta energy: -31.103
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: 2, replica: 4
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -352.768664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.768664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.768664 (E_RNA)
where:
Base-Base interactions energy: -235.636
where: short stacking energy: -102.262
Base-Backbone interact. energy: -0.820
local terms energy: -116.312283
where:
bonds (distance) C4'-P energy: -19.342
bonds (distance) P-C4' energy: -25.472
flat angles C4'-P-C4' energy: -19.748
flat angles P-C4'-P energy: -20.346
tors. eta vs tors. theta energy: -31.404
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: 1
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -322.301873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.301873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.301873 (E_RNA)
where:
Base-Base interactions energy: -221.228
where: short stacking energy: -96.929
Base-Backbone interact. energy: -0.287
local terms energy: -100.787241
where:
bonds (distance) C4'-P energy: -18.195
bonds (distance) P-C4' energy: -22.413
flat angles C4'-P-C4' energy: -22.931
flat angles P-C4'-P energy: -7.649
tors. eta vs tors. theta energy: -29.599
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: 4, replica: 8
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -265.697904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.697904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.697904 (E_RNA)
where:
Base-Base interactions energy: -162.724
where: short stacking energy: -70.932
Base-Backbone interact. energy: -0.225
local terms energy: -102.748605
where:
bonds (distance) C4'-P energy: -20.753
bonds (distance) P-C4' energy: -26.610
flat angles C4'-P-C4' energy: -21.254
flat angles P-C4'-P energy: -15.378
tors. eta vs tors. theta energy: -18.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -272.414500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.414500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.414500 (E_RNA)
where:
Base-Base interactions energy: -173.717
where: short stacking energy: -69.631
Base-Backbone interact. energy: -0.109
local terms energy: -98.588158
where:
bonds (distance) C4'-P energy: -23.321
bonds (distance) P-C4' energy: -21.775
flat angles C4'-P-C4' energy: -22.588
flat angles P-C4'-P energy: -17.339
tors. eta vs tors. theta energy: -13.565
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: 6
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -264.931071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.931071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.931071 (E_RNA)
where:
Base-Base interactions energy: -170.991
where: short stacking energy: -83.753
Base-Backbone interact. energy: -0.281
local terms energy: -93.659288
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -21.127
flat angles C4'-P-C4' energy: -23.243
flat angles P-C4'-P energy: -13.652
tors. eta vs tors. theta energy: -20.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -263.776347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.776347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.776347 (E_RNA)
where:
Base-Base interactions energy: -162.428
where: short stacking energy: -77.861
Base-Backbone interact. energy: -0.078
local terms energy: -101.271196
where:
bonds (distance) C4'-P energy: -21.813
bonds (distance) P-C4' energy: -24.178
flat angles C4'-P-C4' energy: -20.122
flat angles P-C4'-P energy: -15.134
tors. eta vs tors. theta energy: -20.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -223.722440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.722440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.722440 (E_RNA)
where:
Base-Base interactions energy: -139.588
where: short stacking energy: -75.799
Base-Backbone interact. energy: -0.144
local terms energy: -83.991061
where:
bonds (distance) C4'-P energy: -16.779
bonds (distance) P-C4' energy: -18.075
flat angles C4'-P-C4' energy: -19.657
flat angles P-C4'-P energy: -12.081
tors. eta vs tors. theta energy: -17.399
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: 7
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -218.808049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.808049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.808049 (E_RNA)
where:
Base-Base interactions energy: -134.303
where: short stacking energy: -52.908
Base-Backbone interact. energy: -0.354
local terms energy: -84.151623
where:
bonds (distance) C4'-P energy: -14.411
bonds (distance) P-C4' energy: -23.052
flat angles C4'-P-C4' energy: -18.249
flat angles P-C4'-P energy: -16.734
tors. eta vs tors. theta energy: -11.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -105.998870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.998870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.998870 (E_RNA)
where:
Base-Base interactions energy: -37.579
where: short stacking energy: -28.173
Base-Backbone interact. energy: -0.297
local terms energy: -68.123487
where:
bonds (distance) C4'-P energy: -23.920
bonds (distance) P-C4' energy: -20.653
flat angles C4'-P-C4' energy: -16.991
flat angles P-C4'-P energy: -6.444
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: 5
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -373.014709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.014709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.014709 (E_RNA)
where:
Base-Base interactions energy: -258.480
where: short stacking energy: -112.328
Base-Backbone interact. energy: -0.338
local terms energy: -114.196966
where:
bonds (distance) C4'-P energy: -23.200
bonds (distance) P-C4' energy: -25.158
flat angles C4'-P-C4' energy: -24.039
flat angles P-C4'-P energy: -11.982
tors. eta vs tors. theta energy: -29.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -338.636842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.636842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.636842 (E_RNA)
where:
Base-Base interactions energy: -226.301
where: short stacking energy: -96.965
Base-Backbone interact. energy: 1.135
local terms energy: -113.470749
where:
bonds (distance) C4'-P energy: -19.985
bonds (distance) P-C4' energy: -24.268
flat angles C4'-P-C4' energy: -26.810
flat angles P-C4'-P energy: -17.995
tors. eta vs tors. theta energy: -24.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -296.433164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.433164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.433164 (E_RNA)
where:
Base-Base interactions energy: -196.821
where: short stacking energy: -84.194
Base-Backbone interact. energy: -0.293
local terms energy: -99.318865
where:
bonds (distance) C4'-P energy: -22.421
bonds (distance) P-C4' energy: -20.958
flat angles C4'-P-C4' energy: -21.704
flat angles P-C4'-P energy: -11.689
tors. eta vs tors. theta energy: -22.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -335.319090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.319090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.319090 (E_RNA)
where:
Base-Base interactions energy: -227.571
where: short stacking energy: -112.417
Base-Backbone interact. energy: 0.198
local terms energy: -107.946088
where:
bonds (distance) C4'-P energy: -20.054
bonds (distance) P-C4' energy: -18.022
flat angles C4'-P-C4' energy: -23.296
flat angles P-C4'-P energy: -13.415
tors. eta vs tors. theta energy: -33.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -278.377094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.377094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.377094 (E_RNA)
where:
Base-Base interactions energy: -166.072
where: short stacking energy: -83.463
Base-Backbone interact. energy: 0.552
local terms energy: -112.856245
where:
bonds (distance) C4'-P energy: -26.209
bonds (distance) P-C4' energy: -22.319
flat angles C4'-P-C4' energy: -23.336
flat angles P-C4'-P energy: -15.457
tors. eta vs tors. theta energy: -25.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -272.575487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.575487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.575487 (E_RNA)
where:
Base-Base interactions energy: -165.496
where: short stacking energy: -85.516
Base-Backbone interact. energy: -0.006
local terms energy: -107.073045
where:
bonds (distance) C4'-P energy: -17.815
bonds (distance) P-C4' energy: -22.620
flat angles C4'-P-C4' energy: -24.657
flat angles P-C4'-P energy: -14.168
tors. eta vs tors. theta energy: -27.813
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: -246.553604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.553604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.553604 (E_RNA)
where:
Base-Base interactions energy: -154.347
where: short stacking energy: -70.969
Base-Backbone interact. energy: -0.347
local terms energy: -91.859383
where:
bonds (distance) C4'-P energy: -20.897
bonds (distance) P-C4' energy: -21.571
flat angles C4'-P-C4' energy: -24.508
flat angles P-C4'-P energy: -7.027
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: 8, replica: 10
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -236.732302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.732302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.732302 (E_RNA)
where:
Base-Base interactions energy: -152.406
where: short stacking energy: -73.712
Base-Backbone interact. energy: -0.050
local terms energy: -84.275717
where:
bonds (distance) C4'-P energy: -20.309
bonds (distance) P-C4' energy: -19.344
flat angles C4'-P-C4' energy: -22.480
flat angles P-C4'-P energy: -7.103
tors. eta vs tors. theta energy: -15.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -211.662401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.662401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.662401 (E_RNA)
where:
Base-Base interactions energy: -131.566
where: short stacking energy: -64.150
Base-Backbone interact. energy: -0.215
local terms energy: -79.880599
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -24.872
flat angles C4'-P-C4' energy: -20.929
flat angles P-C4'-P energy: -11.984
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: 2
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -132.533200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.533200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.533200 (E_RNA)
where:
Base-Base interactions energy: -51.247
where: short stacking energy: -40.777
Base-Backbone interact. energy: -0.227
local terms energy: -81.058927
where:
bonds (distance) C4'-P energy: -20.898
bonds (distance) P-C4' energy: -21.736
flat angles C4'-P-C4' energy: -18.822
flat angles P-C4'-P energy: -9.275
tors. eta vs tors. theta energy: -10.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -366.997197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.997197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.997197 (E_RNA)
where:
Base-Base interactions energy: -248.374
where: short stacking energy: -108.257
Base-Backbone interact. energy: -0.017
local terms energy: -118.605923
where:
bonds (distance) C4'-P energy: -25.101
bonds (distance) P-C4' energy: -20.688
flat angles C4'-P-C4' energy: -24.976
flat angles P-C4'-P energy: -16.340
tors. eta vs tors. theta energy: -31.501
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: 4
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -339.524310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.524310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.524310 (E_RNA)
where:
Base-Base interactions energy: -223.335
where: short stacking energy: -93.842
Base-Backbone interact. energy: -0.191
local terms energy: -115.998524
where:
bonds (distance) C4'-P energy: -21.502
bonds (distance) P-C4' energy: -24.391
flat angles C4'-P-C4' energy: -24.709
flat angles P-C4'-P energy: -19.277
tors. eta vs tors. theta energy: -26.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -297.004727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.004727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.004727 (E_RNA)
where:
Base-Base interactions energy: -191.584
where: short stacking energy: -87.173
Base-Backbone interact. energy: -0.227
local terms energy: -105.193812
where:
bonds (distance) C4'-P energy: -22.439
bonds (distance) P-C4' energy: -23.123
flat angles C4'-P-C4' energy: -25.184
flat angles P-C4'-P energy: -11.190
tors. eta vs tors. theta energy: -23.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -287.261052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.261052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.261052 (E_RNA)
where:
Base-Base interactions energy: -186.026
where: short stacking energy: -89.912
Base-Backbone interact. energy: -0.109
local terms energy: -101.125943
where:
bonds (distance) C4'-P energy: -23.605
bonds (distance) P-C4' energy: -19.568
flat angles C4'-P-C4' energy: -19.793
flat angles P-C4'-P energy: -12.296
tors. eta vs tors. theta energy: -25.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -300.033934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.033934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.033934 (E_RNA)
where:
Base-Base interactions energy: -203.225
where: short stacking energy: -84.729
Base-Backbone interact. energy: -0.481
local terms energy: -96.328128
where:
bonds (distance) C4'-P energy: -19.326
bonds (distance) P-C4' energy: -24.359
flat angles C4'-P-C4' energy: -17.608
flat angles P-C4'-P energy: -16.592
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: 6, replica: 6
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -262.809573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.809573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.809573 (E_RNA)
where:
Base-Base interactions energy: -163.107
where: short stacking energy: -79.523
Base-Backbone interact. energy: -0.212
local terms energy: -99.490120
where:
bonds (distance) C4'-P energy: -22.719
bonds (distance) P-C4' energy: -22.264
flat angles C4'-P-C4' energy: -24.595
flat angles P-C4'-P energy: -11.986
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: 7, replica: 9
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -233.050938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.050938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.050938 (E_RNA)
where:
Base-Base interactions energy: -150.291
where: short stacking energy: -63.783
Base-Backbone interact. energy: -0.377
local terms energy: -82.383073
where:
bonds (distance) C4'-P energy: -23.650
bonds (distance) P-C4' energy: -15.758
flat angles C4'-P-C4' energy: -20.075
flat angles P-C4'-P energy: -8.692
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: 8, replica: 10
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -247.407054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.407054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.407054 (E_RNA)
where:
Base-Base interactions energy: -155.887
where: short stacking energy: -68.380
Base-Backbone interact. energy: 0.245
local terms energy: -91.764965
where:
bonds (distance) C4'-P energy: -15.562
bonds (distance) P-C4' energy: -21.566
flat angles C4'-P-C4' energy: -20.262
flat angles P-C4'-P energy: -12.453
tors. eta vs tors. theta energy: -21.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -214.700718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.700718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.700718 (E_RNA)
where:
Base-Base interactions energy: -144.822
where: short stacking energy: -58.524
Base-Backbone interact. energy: 5.619
local terms energy: -75.497302
where:
bonds (distance) C4'-P energy: -18.550
bonds (distance) P-C4' energy: -20.159
flat angles C4'-P-C4' energy: -19.333
flat angles P-C4'-P energy: -13.239
tors. eta vs tors. theta energy: -4.216
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: 2
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -106.674472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.674472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.674472 (E_RNA)
where:
Base-Base interactions energy: -28.308
where: short stacking energy: -19.735
Base-Backbone interact. energy: 0.064
local terms energy: -78.430677
where:
bonds (distance) C4'-P energy: -19.838
bonds (distance) P-C4' energy: -26.375
flat angles C4'-P-C4' energy: -17.192
flat angles P-C4'-P energy: -13.129
tors. eta vs tors. theta energy: -1.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -361.771566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.771566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.771566 (E_RNA)
where:
Base-Base interactions energy: -245.603
where: short stacking energy: -105.017
Base-Backbone interact. energy: -0.123
local terms energy: -116.045454
where:
bonds (distance) C4'-P energy: -24.049
bonds (distance) P-C4' energy: -25.053
flat angles C4'-P-C4' energy: -20.875
flat angles P-C4'-P energy: -16.417
tors. eta vs tors. theta energy: -29.652
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: 2, replica: 4
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -345.310677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.310677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.310677 (E_RNA)
where:
Base-Base interactions energy: -236.280
where: short stacking energy: -88.697
Base-Backbone interact. energy: -1.323
local terms energy: -107.708202
where:
bonds (distance) C4'-P energy: -17.763
bonds (distance) P-C4' energy: -22.281
flat angles C4'-P-C4' energy: -23.607
flat angles P-C4'-P energy: -16.419
tors. eta vs tors. theta energy: -27.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -291.585585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.585585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.585585 (E_RNA)
where:
Base-Base interactions energy: -183.285
where: short stacking energy: -94.542
Base-Backbone interact. energy: -0.104
local terms energy: -108.196846
where:
bonds (distance) C4'-P energy: -23.494
bonds (distance) P-C4' energy: -20.836
flat angles C4'-P-C4' energy: -21.324
flat angles P-C4'-P energy: -17.502
tors. eta vs tors. theta energy: -25.041
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: 8
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -316.806324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.806324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.806324 (E_RNA)
where:
Base-Base interactions energy: -202.283
where: short stacking energy: -106.240
Base-Backbone interact. energy: -0.112
local terms energy: -114.411306
where:
bonds (distance) C4'-P energy: -22.454
bonds (distance) P-C4' energy: -23.479
flat angles C4'-P-C4' energy: -26.425
flat angles P-C4'-P energy: -13.592
tors. eta vs tors. theta energy: -28.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -320.027276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.027276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.027276 (E_RNA)
where:
Base-Base interactions energy: -212.267
where: short stacking energy: -103.267
Base-Backbone interact. energy: -0.254
local terms energy: -107.506971
where:
bonds (distance) C4'-P energy: -23.389
bonds (distance) P-C4' energy: -20.605
flat angles C4'-P-C4' energy: -14.484
flat angles P-C4'-P energy: -18.429
tors. eta vs tors. theta energy: -30.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -258.315043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.315043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.315043 (E_RNA)
where:
Base-Base interactions energy: -165.577
where: short stacking energy: -69.090
Base-Backbone interact. energy: -1.403
local terms energy: -91.335673
where:
bonds (distance) C4'-P energy: -18.765
bonds (distance) P-C4' energy: -22.042
flat angles C4'-P-C4' energy: -21.023
flat angles P-C4'-P energy: -15.310
tors. eta vs tors. theta energy: -14.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -249.845495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.845495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.845495 (E_RNA)
where:
Base-Base interactions energy: -155.347
where: short stacking energy: -74.643
Base-Backbone interact. energy: 0.767
local terms energy: -95.265978
where:
bonds (distance) C4'-P energy: -22.926
bonds (distance) P-C4' energy: -20.413
flat angles C4'-P-C4' energy: -24.873
flat angles P-C4'-P energy: -15.344
tors. eta vs tors. theta energy: -11.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -245.264903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.264903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.264903 (E_RNA)
where:
Base-Base interactions energy: -160.022
where: short stacking energy: -69.454
Base-Backbone interact. energy: 0.356
local terms energy: -85.598926
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -22.598
flat angles C4'-P-C4' energy: -16.853
flat angles P-C4'-P energy: -13.228
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: 9, replica: 7
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -227.804657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.804657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.804657 (E_RNA)
where:
Base-Base interactions energy: -144.097
where: short stacking energy: -63.357
Base-Backbone interact. energy: -0.152
local terms energy: -83.556245
where:
bonds (distance) C4'-P energy: -18.707
bonds (distance) P-C4' energy: -23.607
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -12.429
tors. eta vs tors. theta energy: -12.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -107.831162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.831162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.831162 (E_RNA)
where:
Base-Base interactions energy: -27.665
where: short stacking energy: -27.464
Base-Backbone interact. energy: -0.268
local terms energy: -79.897450
where:
bonds (distance) C4'-P energy: -21.031
bonds (distance) P-C4' energy: -24.149
flat angles C4'-P-C4' energy: -17.780
flat angles P-C4'-P energy: -11.808
tors. eta vs tors. theta energy: -5.130
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: 5
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -372.211026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.211026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.211026 (E_RNA)
where:
Base-Base interactions energy: -263.678
where: short stacking energy: -113.995
Base-Backbone interact. energy: -0.113
local terms energy: -108.420139
where:
bonds (distance) C4'-P energy: -15.615
bonds (distance) P-C4' energy: -23.928
flat angles C4'-P-C4' energy: -25.139
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -33.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -353.608715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.608715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.608715 (E_RNA)
where:
Base-Base interactions energy: -238.457
where: short stacking energy: -99.074
Base-Backbone interact. energy: -0.227
local terms energy: -114.924402
where:
bonds (distance) C4'-P energy: -23.276
bonds (distance) P-C4' energy: -24.359
flat angles C4'-P-C4' energy: -23.793
flat angles P-C4'-P energy: -14.961
tors. eta vs tors. theta energy: -28.536
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: 3, replica: 3
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -296.180048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.180048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.180048 (E_RNA)
where:
Base-Base interactions energy: -204.596
where: short stacking energy: -91.787
Base-Backbone interact. energy: 0.682
local terms energy: -92.266848
where:
bonds (distance) C4'-P energy: -17.912
bonds (distance) P-C4' energy: -17.933
flat angles C4'-P-C4' energy: -17.787
flat angles P-C4'-P energy: -16.127
tors. eta vs tors. theta energy: -22.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -330.712727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.712727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.712727 (E_RNA)
where:
Base-Base interactions energy: -225.871
where: short stacking energy: -97.457
Base-Backbone interact. energy: -0.650
local terms energy: -104.191781
where:
bonds (distance) C4'-P energy: -19.850
bonds (distance) P-C4' energy: -18.091
flat angles C4'-P-C4' energy: -20.744
flat angles P-C4'-P energy: -17.706
tors. eta vs tors. theta energy: -27.800
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: 8
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -288.131694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.131694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.131694 (E_RNA)
where:
Base-Base interactions energy: -192.149
where: short stacking energy: -88.250
Base-Backbone interact. energy: -0.125
local terms energy: -95.857555
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -25.192
flat angles C4'-P-C4' energy: -25.076
flat angles P-C4'-P energy: -11.477
tors. eta vs tors. theta energy: -19.475
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: 10
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -222.719595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.719595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.719595 (E_RNA)
where:
Base-Base interactions energy: -137.172
where: short stacking energy: -72.138
Base-Backbone interact. energy: -0.068
local terms energy: -85.479051
where:
bonds (distance) C4'-P energy: -18.730
bonds (distance) P-C4' energy: -21.656
flat angles C4'-P-C4' energy: -23.003
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: -10.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -245.218910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.218910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.218910 (E_RNA)
where:
Base-Base interactions energy: -151.679
where: short stacking energy: -73.057
Base-Backbone interact. energy: -0.608
local terms energy: -92.932360
where:
bonds (distance) C4'-P energy: -21.472
bonds (distance) P-C4' energy: -22.676
flat angles C4'-P-C4' energy: -24.278
flat angles P-C4'-P energy: -12.856
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: 8, replica: 7
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -244.070627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.070627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.070627 (E_RNA)
where:
Base-Base interactions energy: -173.833
where: short stacking energy: -66.872
Base-Backbone interact. energy: -0.502
local terms energy: -69.734996
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -17.179
flat angles C4'-P-C4' energy: -17.485
flat angles P-C4'-P energy: -10.876
tors. eta vs tors. theta energy: -8.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -239.532336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.532336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.532336 (E_RNA)
where:
Base-Base interactions energy: -145.582
where: short stacking energy: -64.323
Base-Backbone interact. energy: -0.118
local terms energy: -93.831767
where:
bonds (distance) C4'-P energy: -19.962
bonds (distance) P-C4' energy: -23.476
flat angles C4'-P-C4' energy: -22.465
flat angles P-C4'-P energy: -11.392
tors. eta vs tors. theta energy: -16.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -103.892189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.892189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.892189 (E_RNA)
where:
Base-Base interactions energy: -30.551
where: short stacking energy: -23.214
Base-Backbone interact. energy: -0.279
local terms energy: -73.062460
where:
bonds (distance) C4'-P energy: -21.857
bonds (distance) P-C4' energy: -18.529
flat angles C4'-P-C4' energy: -16.553
flat angles P-C4'-P energy: -12.629
tors. eta vs tors. theta energy: -3.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -365.400292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.400292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.400292 (E_RNA)
where:
Base-Base interactions energy: -255.049
where: short stacking energy: -102.009
Base-Backbone interact. energy: -0.910
local terms energy: -109.441469
where:
bonds (distance) C4'-P energy: -24.131
bonds (distance) P-C4' energy: -18.380
flat angles C4'-P-C4' energy: -22.808
flat angles P-C4'-P energy: -14.691
tors. eta vs tors. theta energy: -29.431
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: 5
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -359.650935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.650935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.650935 (E_RNA)
where:
Base-Base interactions energy: -248.864
where: short stacking energy: -110.958
Base-Backbone interact. energy: -0.106
local terms energy: -110.680715
where:
bonds (distance) C4'-P energy: -19.249
bonds (distance) P-C4' energy: -19.658
flat angles C4'-P-C4' energy: -24.964
flat angles P-C4'-P energy: -14.412
tors. eta vs tors. theta energy: -32.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -326.194606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.194606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.194606 (E_RNA)
where:
Base-Base interactions energy: -219.453
where: short stacking energy: -100.636
Base-Backbone interact. energy: -0.107
local terms energy: -106.633979
where:
bonds (distance) C4'-P energy: -22.514
bonds (distance) P-C4' energy: -25.374
flat angles C4'-P-C4' energy: -19.756
flat angles P-C4'-P energy: -12.524
tors. eta vs tors. theta energy: -26.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -294.937499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.937499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.937499 (E_RNA)
where:
Base-Base interactions energy: -181.431
where: short stacking energy: -94.654
Base-Backbone interact. energy: -0.000
local terms energy: -113.506615
where:
bonds (distance) C4'-P energy: -25.095
bonds (distance) P-C4' energy: -23.386
flat angles C4'-P-C4' energy: -21.336
flat angles P-C4'-P energy: -17.017
tors. eta vs tors. theta energy: -26.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -256.177616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.177616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.177616 (E_RNA)
where:
Base-Base interactions energy: -156.995
where: short stacking energy: -67.689
Base-Backbone interact. energy: 1.288
local terms energy: -100.470844
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -21.113
flat angles C4'-P-C4' energy: -22.629
flat angles P-C4'-P energy: -17.809
tors. eta vs tors. theta energy: -21.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -233.802820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.802820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.802820 (E_RNA)
where:
Base-Base interactions energy: -145.417
where: short stacking energy: -55.177
Base-Backbone interact. energy: 0.206
local terms energy: -88.591748
where:
bonds (distance) C4'-P energy: -21.812
bonds (distance) P-C4' energy: -17.056
flat angles C4'-P-C4' energy: -20.942
flat angles P-C4'-P energy: -15.501
tors. eta vs tors. theta energy: -13.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -254.682936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.682936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.682936 (E_RNA)
where:
Base-Base interactions energy: -151.014
where: short stacking energy: -79.278
Base-Backbone interact. energy: -0.552
local terms energy: -103.116951
where:
bonds (distance) C4'-P energy: -20.521
bonds (distance) P-C4' energy: -18.913
flat angles C4'-P-C4' energy: -23.419
flat angles P-C4'-P energy: -17.448
tors. eta vs tors. theta energy: -22.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -232.897623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.897623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.897623 (E_RNA)
where:
Base-Base interactions energy: -150.879
where: short stacking energy: -65.215
Base-Backbone interact. energy: -0.202
local terms energy: -81.816582
where:
bonds (distance) C4'-P energy: -21.076
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -22.901
flat angles P-C4'-P energy: -12.390
tors. eta vs tors. theta energy: -9.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -214.267998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.267998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.267998 (E_RNA)
where:
Base-Base interactions energy: -133.800
where: short stacking energy: -72.706
Base-Backbone interact. energy: 0.113
local terms energy: -80.580681
where:
bonds (distance) C4'-P energy: -12.543
bonds (distance) P-C4' energy: -18.495
flat angles C4'-P-C4' energy: -22.920
flat angles P-C4'-P energy: -11.960
tors. eta vs tors. theta energy: -14.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -107.141551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.141551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.141551 (E_RNA)
where:
Base-Base interactions energy: -36.056
where: short stacking energy: -31.999
Base-Backbone interact. energy: 1.267
local terms energy: -72.352704
where:
bonds (distance) C4'-P energy: -24.987
bonds (distance) P-C4' energy: -18.489
flat angles C4'-P-C4' energy: -15.589
flat angles P-C4'-P energy: -15.206
tors. eta vs tors. theta energy: 1.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -367.496750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.496750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.496750 (E_RNA)
where:
Base-Base interactions energy: -251.695
where: short stacking energy: -104.923
Base-Backbone interact. energy: -0.882
local terms energy: -114.919417
where:
bonds (distance) C4'-P energy: -24.529
bonds (distance) P-C4' energy: -21.897
flat angles C4'-P-C4' energy: -20.863
flat angles P-C4'-P energy: -16.874
tors. eta vs tors. theta energy: -30.757
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: 275
Temperature: 0.950000
Total energy: -376.035575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.035575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.035575 (E_RNA)
where:
Base-Base interactions energy: -251.679
where: short stacking energy: -112.445
Base-Backbone interact. energy: 1.627
local terms energy: -125.983767
where:
bonds (distance) C4'-P energy: -22.872
bonds (distance) P-C4' energy: -21.031
flat angles C4'-P-C4' energy: -27.244
flat angles P-C4'-P energy: -19.189
tors. eta vs tors. theta energy: -35.648
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: 1
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -320.291567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.291567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.291567 (E_RNA)
where:
Base-Base interactions energy: -214.844
where: short stacking energy: -91.737
Base-Backbone interact. energy: 0.233
local terms energy: -105.679819
where:
bonds (distance) C4'-P energy: -20.632
bonds (distance) P-C4' energy: -21.700
flat angles C4'-P-C4' energy: -20.029
flat angles P-C4'-P energy: -14.951
tors. eta vs tors. theta energy: -28.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -291.217133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.217133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.217133 (E_RNA)
where:
Base-Base interactions energy: -185.365
where: short stacking energy: -98.246
Base-Backbone interact. energy: 2.645
local terms energy: -108.497284
where:
bonds (distance) C4'-P energy: -19.630
bonds (distance) P-C4' energy: -25.694
flat angles C4'-P-C4' energy: -24.700
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -27.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -292.328181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.328181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.328181 (E_RNA)
where:
Base-Base interactions energy: -193.268
where: short stacking energy: -84.965
Base-Backbone interact. energy: -0.082
local terms energy: -98.977634
where:
bonds (distance) C4'-P energy: -17.986
bonds (distance) P-C4' energy: -24.782
flat angles C4'-P-C4' energy: -20.228
flat angles P-C4'-P energy: -13.006
tors. eta vs tors. theta energy: -22.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -255.838377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.838377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.838377 (E_RNA)
where:
Base-Base interactions energy: -161.680
where: short stacking energy: -72.600
Base-Backbone interact. energy: -0.381
local terms energy: -93.777771
where:
bonds (distance) C4'-P energy: -23.750
bonds (distance) P-C4' energy: -21.522
flat angles C4'-P-C4' energy: -22.342
flat angles P-C4'-P energy: -12.386
tors. eta vs tors. theta energy: -13.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -231.693116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.693116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.693116 (E_RNA)
where:
Base-Base interactions energy: -131.578
where: short stacking energy: -57.746
Base-Backbone interact. energy: -0.600
local terms energy: -99.515595
where:
bonds (distance) C4'-P energy: -20.704
bonds (distance) P-C4' energy: -24.836
flat angles C4'-P-C4' energy: -21.250
flat angles P-C4'-P energy: -18.888
tors. eta vs tors. theta energy: -13.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -219.341267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.341267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.341267 (E_RNA)
where:
Base-Base interactions energy: -144.742
where: short stacking energy: -61.961
Base-Backbone interact. energy: -0.621
local terms energy: -73.977780
where:
bonds (distance) C4'-P energy: -19.808
bonds (distance) P-C4' energy: -17.458
flat angles C4'-P-C4' energy: -20.424
flat angles P-C4'-P energy: -11.944
tors. eta vs tors. theta energy: -4.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -228.641737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.641737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.641737 (E_RNA)
where:
Base-Base interactions energy: -139.901
where: short stacking energy: -64.290
Base-Backbone interact. energy: -0.123
local terms energy: -88.617452
where:
bonds (distance) C4'-P energy: -17.117
bonds (distance) P-C4' energy: -22.751
flat angles C4'-P-C4' energy: -20.739
flat angles P-C4'-P energy: -13.825
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: 10, replica: 2
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -103.645737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.645737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.645737 (E_RNA)
where:
Base-Base interactions energy: -39.082
where: short stacking energy: -39.082
Base-Backbone interact. energy: -0.082
local terms energy: -64.481911
where:
bonds (distance) C4'-P energy: -17.078
bonds (distance) P-C4' energy: -15.158
flat angles C4'-P-C4' energy: -16.369
flat angles P-C4'-P energy: -11.554
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: 1, replica: 5
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -372.509501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.509501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.509501 (E_RNA)
where:
Base-Base interactions energy: -247.998
where: short stacking energy: -110.119
Base-Backbone interact. energy: -0.147
local terms energy: -124.364140
where:
bonds (distance) C4'-P energy: -22.165
bonds (distance) P-C4' energy: -24.899
flat angles C4'-P-C4' energy: -25.921
flat angles P-C4'-P energy: -16.131
tors. eta vs tors. theta energy: -35.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -355.943504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.943504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.943504 (E_RNA)
where:
Base-Base interactions energy: -245.930
where: short stacking energy: -101.690
Base-Backbone interact. energy: -0.390
local terms energy: -109.623565
where:
bonds (distance) C4'-P energy: -22.339
bonds (distance) P-C4' energy: -24.050
flat angles C4'-P-C4' energy: -21.089
flat angles P-C4'-P energy: -13.471
tors. eta vs tors. theta energy: -28.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -335.527737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.527737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.527737 (E_RNA)
where:
Base-Base interactions energy: -229.478
where: short stacking energy: -97.263
Base-Backbone interact. energy: -0.106
local terms energy: -105.943870
where:
bonds (distance) C4'-P energy: -15.098
bonds (distance) P-C4' energy: -26.622
flat angles C4'-P-C4' energy: -20.737
flat angles P-C4'-P energy: -17.610
tors. eta vs tors. theta energy: -25.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -279.977864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.977864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.977864 (E_RNA)
where:
Base-Base interactions energy: -173.554
where: short stacking energy: -81.247
Base-Backbone interact. energy: -0.121
local terms energy: -106.302235
where:
bonds (distance) C4'-P energy: -17.122
bonds (distance) P-C4' energy: -23.809
flat angles C4'-P-C4' energy: -25.756
flat angles P-C4'-P energy: -18.220
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: 5, replica: 6
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -276.511032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.511032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.511032 (E_RNA)
where:
Base-Base interactions energy: -189.310
where: short stacking energy: -78.873
Base-Backbone interact. energy: -0.997
local terms energy: -86.203966
where:
bonds (distance) C4'-P energy: -17.573
bonds (distance) P-C4' energy: -26.293
flat angles C4'-P-C4' energy: -12.950
flat angles P-C4'-P energy: -14.939
tors. eta vs tors. theta energy: -14.450
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: 8
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -273.826342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.826342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.826342 (E_RNA)
where:
Base-Base interactions energy: -172.171
where: short stacking energy: -83.506
Base-Backbone interact. energy: -0.097
local terms energy: -101.558246
where:
bonds (distance) C4'-P energy: -18.188
bonds (distance) P-C4' energy: -25.826
flat angles C4'-P-C4' energy: -24.357
flat angles P-C4'-P energy: -13.822
tors. eta vs tors. theta energy: -19.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -253.071488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.071488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.071488 (E_RNA)
where:
Base-Base interactions energy: -171.638
where: short stacking energy: -62.264
Base-Backbone interact. energy: -0.810
local terms energy: -80.622778
where:
bonds (distance) C4'-P energy: -14.411
bonds (distance) P-C4' energy: -22.353
flat angles C4'-P-C4' energy: -20.419
flat angles P-C4'-P energy: -11.931
tors. eta vs tors. theta energy: -11.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -213.274709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.274709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.274709 (E_RNA)
where:
Base-Base interactions energy: -136.724
where: short stacking energy: -57.823
Base-Backbone interact. energy: -0.081
local terms energy: -76.469546
where:
bonds (distance) C4'-P energy: -18.703
bonds (distance) P-C4' energy: -17.586
flat angles C4'-P-C4' energy: -20.461
flat angles P-C4'-P energy: -13.093
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: 7
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -239.229016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.229016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.229016 (E_RNA)
where:
Base-Base interactions energy: -156.826
where: short stacking energy: -76.256
Base-Backbone interact. energy: -0.794
local terms energy: -81.609395
where:
bonds (distance) C4'-P energy: -18.313
bonds (distance) P-C4' energy: -19.501
flat angles C4'-P-C4' energy: -18.446
flat angles P-C4'-P energy: -10.993
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: 10, replica: 2
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -104.623403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.623403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.623403 (E_RNA)
where:
Base-Base interactions energy: -42.100
where: short stacking energy: -30.464
Base-Backbone interact. energy: 0.002
local terms energy: -62.525265
where:
bonds (distance) C4'-P energy: -17.263
bonds (distance) P-C4' energy: -19.917
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -13.463
tors. eta vs tors. theta energy: 4.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -376.268958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.268958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.268958 (E_RNA)
where:
Base-Base interactions energy: -262.330
where: short stacking energy: -117.873
Base-Backbone interact. energy: 0.179
local terms energy: -114.118318
where:
bonds (distance) C4'-P energy: -22.988
bonds (distance) P-C4' energy: -21.023
flat angles C4'-P-C4' energy: -16.603
flat angles P-C4'-P energy: -16.781
tors. eta vs tors. theta energy: -36.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -350.425934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.425934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.425934 (E_RNA)
where:
Base-Base interactions energy: -240.694
where: short stacking energy: -91.740
Base-Backbone interact. energy: -0.652
local terms energy: -109.080569
where:
bonds (distance) C4'-P energy: -20.800
bonds (distance) P-C4' energy: -21.481
flat angles C4'-P-C4' energy: -22.234
flat angles P-C4'-P energy: -16.643
tors. eta vs tors. theta energy: -27.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -339.542383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.542383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.542383 (E_RNA)
where:
Base-Base interactions energy: -230.262
where: short stacking energy: -90.122
Base-Backbone interact. energy: -0.608
local terms energy: -108.672574
where:
bonds (distance) C4'-P energy: -19.550
bonds (distance) P-C4' energy: -23.832
flat angles C4'-P-C4' energy: -24.570
flat angles P-C4'-P energy: -13.872
tors. eta vs tors. theta energy: -26.849
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: 6
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -292.135010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.135010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.135010 (E_RNA)
where:
Base-Base interactions energy: -185.903
where: short stacking energy: -89.130
Base-Backbone interact. energy: -1.101
local terms energy: -105.130642
where:
bonds (distance) C4'-P energy: -21.531
bonds (distance) P-C4' energy: -25.064
flat angles C4'-P-C4' energy: -21.661
flat angles P-C4'-P energy: -13.805
tors. eta vs tors. theta energy: -23.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -278.109450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.109450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.109450 (E_RNA)
where:
Base-Base interactions energy: -190.154
where: short stacking energy: -88.088
Base-Backbone interact. energy: 1.566
local terms energy: -89.521734
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -21.826
flat angles C4'-P-C4' energy: -23.407
flat angles P-C4'-P energy: -14.655
tors. eta vs tors. theta energy: -15.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -275.637734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.637734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.637734 (E_RNA)
where:
Base-Base interactions energy: -192.628
where: short stacking energy: -87.121
Base-Backbone interact. energy: -0.724
local terms energy: -82.285824
where:
bonds (distance) C4'-P energy: -14.953
bonds (distance) P-C4' energy: -17.261
flat angles C4'-P-C4' energy: -22.912
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -18.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -240.994061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.994061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.994061 (E_RNA)
where:
Base-Base interactions energy: -154.208
where: short stacking energy: -74.053
Base-Backbone interact. energy: -0.390
local terms energy: -86.395598
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -23.472
flat angles C4'-P-C4' energy: -18.184
flat angles P-C4'-P energy: -19.585
tors. eta vs tors. theta energy: -10.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -251.878642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.878642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.878642 (E_RNA)
where:
Base-Base interactions energy: -159.107
where: short stacking energy: -71.705
Base-Backbone interact. energy: -0.034
local terms energy: -92.738400
where:
bonds (distance) C4'-P energy: -20.821
bonds (distance) P-C4' energy: -25.913
flat angles C4'-P-C4' energy: -14.373
flat angles P-C4'-P energy: -11.847
tors. eta vs tors. theta energy: -19.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -208.230623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.230623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.230623 (E_RNA)
where:
Base-Base interactions energy: -120.418
where: short stacking energy: -68.239
Base-Backbone interact. energy: -0.094
local terms energy: -87.717942
where:
bonds (distance) C4'-P energy: -22.902
bonds (distance) P-C4' energy: -22.223
flat angles C4'-P-C4' energy: -16.425
flat angles P-C4'-P energy: -12.736
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: 10, replica: 2
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -104.012248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.012248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.012248 (E_RNA)
where:
Base-Base interactions energy: -39.437
where: short stacking energy: -39.437
Base-Backbone interact. energy: 0.117
local terms energy: -64.692793
where:
bonds (distance) C4'-P energy: -18.980
bonds (distance) P-C4' energy: -21.648
flat angles C4'-P-C4' energy: -18.461
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: 4.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -370.274548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.274548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.274548 (E_RNA)
where:
Base-Base interactions energy: -249.834
where: short stacking energy: -108.716
Base-Backbone interact. energy: -0.490
local terms energy: -119.950546
where:
bonds (distance) C4'-P energy: -24.777
bonds (distance) P-C4' energy: -19.150
flat angles C4'-P-C4' energy: -26.176
flat angles P-C4'-P energy: -17.422
tors. eta vs tors. theta energy: -32.425
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: 2, replica: 4
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -335.754037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.754037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.754037 (E_RNA)
where:
Base-Base interactions energy: -229.399
where: short stacking energy: -100.158
Base-Backbone interact. energy: 0.710
local terms energy: -107.065233
where:
bonds (distance) C4'-P energy: -18.281
bonds (distance) P-C4' energy: -24.442
flat angles C4'-P-C4' energy: -22.739
flat angles P-C4'-P energy: -14.966
tors. eta vs tors. theta energy: -26.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -342.056997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.056997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.056997 (E_RNA)
where:
Base-Base interactions energy: -239.962
where: short stacking energy: -91.700
Base-Backbone interact. energy: -0.853
local terms energy: -101.241480
where:
bonds (distance) C4'-P energy: -19.494
bonds (distance) P-C4' energy: -23.902
flat angles C4'-P-C4' energy: -21.898
flat angles P-C4'-P energy: -16.397
tors. eta vs tors. theta energy: -19.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -300.095476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.095476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.095476 (E_RNA)
where:
Base-Base interactions energy: -188.694
where: short stacking energy: -89.488
Base-Backbone interact. energy: -0.031
local terms energy: -111.369650
where:
bonds (distance) C4'-P energy: -21.952
bonds (distance) P-C4' energy: -23.460
flat angles C4'-P-C4' energy: -21.231
flat angles P-C4'-P energy: -17.503
tors. eta vs tors. theta energy: -27.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -271.937833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.937833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.937833 (E_RNA)
where:
Base-Base interactions energy: -173.204
where: short stacking energy: -82.967
Base-Backbone interact. energy: 0.239
local terms energy: -98.973660
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -26.117
flat angles C4'-P-C4' energy: -19.751
flat angles P-C4'-P energy: -13.285
tors. eta vs tors. theta energy: -23.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -264.129693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.129693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.129693 (E_RNA)
where:
Base-Base interactions energy: -170.112
where: short stacking energy: -83.706
Base-Backbone interact. energy: -0.345
local terms energy: -93.672026
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -25.340
flat angles C4'-P-C4' energy: -15.331
flat angles P-C4'-P energy: -13.817
tors. eta vs tors. theta energy: -25.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -248.639877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.639877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.639877 (E_RNA)
where:
Base-Base interactions energy: -149.974
where: short stacking energy: -69.583
Base-Backbone interact. energy: -0.283
local terms energy: -98.382925
where:
bonds (distance) C4'-P energy: -20.338
bonds (distance) P-C4' energy: -16.910
flat angles C4'-P-C4' energy: -27.121
flat angles P-C4'-P energy: -12.442
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: 8, replica: 8
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -237.574981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.574981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.574981 (E_RNA)
where:
Base-Base interactions energy: -152.924
where: short stacking energy: -64.953
Base-Backbone interact. energy: -0.132
local terms energy: -84.518998
where:
bonds (distance) C4'-P energy: -17.070
bonds (distance) P-C4' energy: -22.418
flat angles C4'-P-C4' energy: -23.703
flat angles P-C4'-P energy: -9.163
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: 9, replica: 9
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -199.083236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.083236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.083236 (E_RNA)
where:
Base-Base interactions energy: -119.428
where: short stacking energy: -55.417
Base-Backbone interact. energy: -1.466
local terms energy: -78.188886
where:
bonds (distance) C4'-P energy: -19.001
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -22.738
flat angles P-C4'-P energy: -13.462
tors. eta vs tors. theta energy: -5.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -112.852526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.852526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.852526 (E_RNA)
where:
Base-Base interactions energy: -60.330
where: short stacking energy: -20.438
Base-Backbone interact. energy: -0.099
local terms energy: -52.423912
where:
bonds (distance) C4'-P energy: -12.820
bonds (distance) P-C4' energy: -18.598
flat angles C4'-P-C4' energy: -16.892
flat angles P-C4'-P energy: -13.235
tors. eta vs tors. theta energy: 9.120
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: 279
Temperature: 0.900000
Total energy: -370.009041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.009041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.009041 (E_RNA)
where:
Base-Base interactions energy: -256.805
where: short stacking energy: -121.077
Base-Backbone interact. energy: -0.705
local terms energy: -112.498722
where:
bonds (distance) C4'-P energy: -20.773
bonds (distance) P-C4' energy: -23.001
flat angles C4'-P-C4' energy: -23.739
flat angles P-C4'-P energy: -15.447
tors. eta vs tors. theta energy: -29.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -346.390785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.390785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.390785 (E_RNA)
where:
Base-Base interactions energy: -226.776
where: short stacking energy: -99.106
Base-Backbone interact. energy: -0.226
local terms energy: -119.388694
where:
bonds (distance) C4'-P energy: -24.831
bonds (distance) P-C4' energy: -25.859
flat angles C4'-P-C4' energy: -21.303
flat angles P-C4'-P energy: -18.193
tors. eta vs tors. theta energy: -29.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -337.200578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.200578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.200578 (E_RNA)
where:
Base-Base interactions energy: -222.098
where: short stacking energy: -97.422
Base-Backbone interact. energy: -0.286
local terms energy: -114.816635
where:
bonds (distance) C4'-P energy: -23.745
bonds (distance) P-C4' energy: -24.329
flat angles C4'-P-C4' energy: -25.209
flat angles P-C4'-P energy: -12.955
tors. eta vs tors. theta energy: -28.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -290.602336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.602336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.602336 (E_RNA)
where:
Base-Base interactions energy: -191.076
where: short stacking energy: -88.312
Base-Backbone interact. energy: -0.168
local terms energy: -99.357972
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -18.945
flat angles C4'-P-C4' energy: -21.903
flat angles P-C4'-P energy: -17.926
tors. eta vs tors. theta energy: -23.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -293.790281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.790281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.790281 (E_RNA)
where:
Base-Base interactions energy: -192.710
where: short stacking energy: -92.244
Base-Backbone interact. energy: -0.049
local terms energy: -101.030497
where:
bonds (distance) C4'-P energy: -26.126
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -20.826
flat angles P-C4'-P energy: -13.880
tors. eta vs tors. theta energy: -25.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -275.749248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.749248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.749248 (E_RNA)
where:
Base-Base interactions energy: -170.849
where: short stacking energy: -77.574
Base-Backbone interact. energy: 1.413
local terms energy: -106.313294
where:
bonds (distance) C4'-P energy: -22.980
bonds (distance) P-C4' energy: -22.122
flat angles C4'-P-C4' energy: -22.667
flat angles P-C4'-P energy: -16.951
tors. eta vs tors. theta energy: -21.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -268.203649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.203649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.203649 (E_RNA)
where:
Base-Base interactions energy: -167.480
where: short stacking energy: -87.932
Base-Backbone interact. energy: -0.500
local terms energy: -100.224029
where:
bonds (distance) C4'-P energy: -18.130
bonds (distance) P-C4' energy: -24.162
flat angles C4'-P-C4' energy: -17.059
flat angles P-C4'-P energy: -16.196
tors. eta vs tors. theta energy: -24.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -234.648483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.648483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.648483 (E_RNA)
where:
Base-Base interactions energy: -150.949
where: short stacking energy: -74.932
Base-Backbone interact. energy: -0.062
local terms energy: -83.636887
where:
bonds (distance) C4'-P energy: -20.112
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -21.595
flat angles P-C4'-P energy: -9.473
tors. eta vs tors. theta energy: -16.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -201.355004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.355004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.355004 (E_RNA)
where:
Base-Base interactions energy: -102.336
where: short stacking energy: -54.111
Base-Backbone interact. energy: -0.440
local terms energy: -98.578881
where:
bonds (distance) C4'-P energy: -23.223
bonds (distance) P-C4' energy: -23.795
flat angles C4'-P-C4' energy: -20.919
flat angles P-C4'-P energy: -11.084
tors. eta vs tors. theta energy: -19.558
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: 2
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -108.114003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.114003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.114003 (E_RNA)
where:
Base-Base interactions energy: -36.921
where: short stacking energy: -35.420
Base-Backbone interact. energy: 1.905
local terms energy: -73.097947
where:
bonds (distance) C4'-P energy: -22.413
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -18.187
flat angles P-C4'-P energy: -14.276
tors. eta vs tors. theta energy: -2.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -366.024313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.024313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.024313 (E_RNA)
where:
Base-Base interactions energy: -253.073
where: short stacking energy: -110.721
Base-Backbone interact. energy: -0.027
local terms energy: -112.924643
where:
bonds (distance) C4'-P energy: -19.974
bonds (distance) P-C4' energy: -22.593
flat angles C4'-P-C4' energy: -25.106
flat angles P-C4'-P energy: -16.779
tors. eta vs tors. theta energy: -28.472
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: 4
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -336.817733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.817733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.817733 (E_RNA)
where:
Base-Base interactions energy: -234.348
where: short stacking energy: -99.964
Base-Backbone interact. energy: -0.061
local terms energy: -102.408422
where:
bonds (distance) C4'-P energy: -14.774
bonds (distance) P-C4' energy: -17.187
flat angles C4'-P-C4' energy: -23.580
flat angles P-C4'-P energy: -18.158
tors. eta vs tors. theta energy: -28.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -338.416529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.416529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.416529 (E_RNA)
where:
Base-Base interactions energy: -223.341
where: short stacking energy: -88.111
Base-Backbone interact. energy: -0.292
local terms energy: -114.783339
where:
bonds (distance) C4'-P energy: -20.384
bonds (distance) P-C4' energy: -22.741
flat angles C4'-P-C4' energy: -23.450
flat angles P-C4'-P energy: -20.238
tors. eta vs tors. theta energy: -27.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -306.892523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.892523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.892523 (E_RNA)
where:
Base-Base interactions energy: -194.354
where: short stacking energy: -86.775
Base-Backbone interact. energy: -0.673
local terms energy: -111.865209
where:
bonds (distance) C4'-P energy: -21.933
bonds (distance) P-C4' energy: -23.058
flat angles C4'-P-C4' energy: -24.121
flat angles P-C4'-P energy: -18.470
tors. eta vs tors. theta energy: -24.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -273.825145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.825145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.825145 (E_RNA)
where:
Base-Base interactions energy: -171.976
where: short stacking energy: -78.921
Base-Backbone interact. energy: -0.932
local terms energy: -100.917025
where:
bonds (distance) C4'-P energy: -22.592
bonds (distance) P-C4' energy: -18.818
flat angles C4'-P-C4' energy: -23.092
flat angles P-C4'-P energy: -16.365
tors. eta vs tors. theta energy: -20.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -260.232612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.232612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.232612 (E_RNA)
where:
Base-Base interactions energy: -164.011
where: short stacking energy: -69.256
Base-Backbone interact. energy: -0.673
local terms energy: -95.548668
where:
bonds (distance) C4'-P energy: -24.887
bonds (distance) P-C4' energy: -18.971
flat angles C4'-P-C4' energy: -22.868
flat angles P-C4'-P energy: -15.986
tors. eta vs tors. theta energy: -12.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -250.368393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.368393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.368393 (E_RNA)
where:
Base-Base interactions energy: -158.718
where: short stacking energy: -72.234
Base-Backbone interact. energy: -0.471
local terms energy: -91.179224
where:
bonds (distance) C4'-P energy: -21.035
bonds (distance) P-C4' energy: -16.025
flat angles C4'-P-C4' energy: -21.434
flat angles P-C4'-P energy: -13.132
tors. eta vs tors. theta energy: -19.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -240.494688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.494688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.494688 (E_RNA)
where:
Base-Base interactions energy: -149.366
where: short stacking energy: -70.380
Base-Backbone interact. energy: -0.089
local terms energy: -91.039859
where:
bonds (distance) C4'-P energy: -17.056
bonds (distance) P-C4' energy: -23.319
flat angles C4'-P-C4' energy: -18.192
flat angles P-C4'-P energy: -17.134
tors. eta vs tors. theta energy: -15.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -240.119285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.119285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.119285 (E_RNA)
where:
Base-Base interactions energy: -147.899
where: short stacking energy: -74.119
Base-Backbone interact. energy: 0.808
local terms energy: -93.027930
where:
bonds (distance) C4'-P energy: -23.749
bonds (distance) P-C4' energy: -22.427
flat angles C4'-P-C4' energy: -19.627
flat angles P-C4'-P energy: -12.652
tors. eta vs tors. theta energy: -14.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -106.350580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.350580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.350580 (E_RNA)
where:
Base-Base interactions energy: -35.146
where: short stacking energy: -26.901
Base-Backbone interact. energy: -0.632
local terms energy: -70.572108
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -22.232
flat angles C4'-P-C4' energy: -16.658
flat angles P-C4'-P energy: -15.945
tors. eta vs tors. theta energy: 1.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -377.226036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.226036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.226036 (E_RNA)
where:
Base-Base interactions energy: -260.497
where: short stacking energy: -114.896
Base-Backbone interact. energy: -0.030
local terms energy: -116.698620
where:
bonds (distance) C4'-P energy: -20.736
bonds (distance) P-C4' energy: -23.041
flat angles C4'-P-C4' energy: -26.476
flat angles P-C4'-P energy: -14.935
tors. eta vs tors. theta energy: -31.510
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: 1
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -344.137490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.137490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.137490 (E_RNA)
where:
Base-Base interactions energy: -235.405
where: short stacking energy: -91.045
Base-Backbone interact. energy: 0.870
local terms energy: -109.602791
where:
bonds (distance) C4'-P energy: -24.388
bonds (distance) P-C4' energy: -20.382
flat angles C4'-P-C4' energy: -21.401
flat angles P-C4'-P energy: -17.118
tors. eta vs tors. theta energy: -26.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -337.793257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.793257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.793257 (E_RNA)
where:
Base-Base interactions energy: -228.790
where: short stacking energy: -105.733
Base-Backbone interact. energy: -0.595
local terms energy: -108.408927
where:
bonds (distance) C4'-P energy: -18.368
bonds (distance) P-C4' energy: -22.152
flat angles C4'-P-C4' energy: -26.787
flat angles P-C4'-P energy: -13.135
tors. eta vs tors. theta energy: -27.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -292.163456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.163456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.163456 (E_RNA)
where:
Base-Base interactions energy: -183.631
where: short stacking energy: -89.007
Base-Backbone interact. energy: -0.675
local terms energy: -107.857677
where:
bonds (distance) C4'-P energy: -21.120
bonds (distance) P-C4' energy: -23.149
flat angles C4'-P-C4' energy: -24.205
flat angles P-C4'-P energy: -14.223
tors. eta vs tors. theta energy: -25.161
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: 6
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -281.210811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.210811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.210811 (E_RNA)
where:
Base-Base interactions energy: -173.837
where: short stacking energy: -79.267
Base-Backbone interact. energy: -1.250
local terms energy: -106.123818
where:
bonds (distance) C4'-P energy: -21.592
bonds (distance) P-C4' energy: -23.941
flat angles C4'-P-C4' energy: -23.135
flat angles P-C4'-P energy: -18.329
tors. eta vs tors. theta energy: -19.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -259.489968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.489968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.489968 (E_RNA)
where:
Base-Base interactions energy: -167.361
where: short stacking energy: -77.554
Base-Backbone interact. energy: -0.362
local terms energy: -91.767513
where:
bonds (distance) C4'-P energy: -16.408
bonds (distance) P-C4' energy: -23.414
flat angles C4'-P-C4' energy: -20.768
flat angles P-C4'-P energy: -15.022
tors. eta vs tors. theta energy: -16.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -250.271705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.271705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.271705 (E_RNA)
where:
Base-Base interactions energy: -169.081
where: short stacking energy: -61.895
Base-Backbone interact. energy: -1.150
local terms energy: -80.040950
where:
bonds (distance) C4'-P energy: -21.146
bonds (distance) P-C4' energy: -18.900
flat angles C4'-P-C4' energy: -15.811
flat angles P-C4'-P energy: -12.313
tors. eta vs tors. theta energy: -11.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -240.579747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.579747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.579747 (E_RNA)
where:
Base-Base interactions energy: -159.707
where: short stacking energy: -74.365
Base-Backbone interact. energy: -0.490
local terms energy: -80.382601
where:
bonds (distance) C4'-P energy: -17.440
bonds (distance) P-C4' energy: -19.656
flat angles C4'-P-C4' energy: -17.087
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -15.276
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: 9, replica: 9
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -247.032426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.032426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.032426 (E_RNA)
where:
Base-Base interactions energy: -161.317
where: short stacking energy: -75.136
Base-Backbone interact. energy: -0.256
local terms energy: -85.459927
where:
bonds (distance) C4'-P energy: -15.166
bonds (distance) P-C4' energy: -21.175
flat angles C4'-P-C4' energy: -17.203
flat angles P-C4'-P energy: -14.898
tors. eta vs tors. theta energy: -17.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -115.959216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.959216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.959216 (E_RNA)
where:
Base-Base interactions energy: -38.879
where: short stacking energy: -31.096
Base-Backbone interact. energy: -0.393
local terms energy: -76.687441
where:
bonds (distance) C4'-P energy: -19.842
bonds (distance) P-C4' energy: -17.805
flat angles C4'-P-C4' energy: -21.629
flat angles P-C4'-P energy: -12.355
tors. eta vs tors. theta energy: -5.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -372.542777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.542777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.542777 (E_RNA)
where:
Base-Base interactions energy: -260.429
where: short stacking energy: -114.049
Base-Backbone interact. energy: -0.021
local terms energy: -112.092831
where:
bonds (distance) C4'-P energy: -17.802
bonds (distance) P-C4' energy: -20.158
flat angles C4'-P-C4' energy: -27.293
flat angles P-C4'-P energy: -14.866
tors. eta vs tors. theta energy: -31.974
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: 2, replica: 1
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -351.515072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.515072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.515072 (E_RNA)
where:
Base-Base interactions energy: -236.088
where: short stacking energy: -116.384
Base-Backbone interact. energy: -0.128
local terms energy: -115.299784
where:
bonds (distance) C4'-P energy: -19.272
bonds (distance) P-C4' energy: -23.062
flat angles C4'-P-C4' energy: -26.253
flat angles P-C4'-P energy: -15.006
tors. eta vs tors. theta energy: -31.708
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: 4
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -352.946088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.946088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.946088 (E_RNA)
where:
Base-Base interactions energy: -236.590
where: short stacking energy: -121.001
Base-Backbone interact. energy: 1.354
local terms energy: -117.710060
where:
bonds (distance) C4'-P energy: -16.116
bonds (distance) P-C4' energy: -26.725
flat angles C4'-P-C4' energy: -24.850
flat angles P-C4'-P energy: -14.416
tors. eta vs tors. theta energy: -35.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -289.926137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.926137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.926137 (E_RNA)
where:
Base-Base interactions energy: -184.623
where: short stacking energy: -94.210
Base-Backbone interact. energy: -0.508
local terms energy: -104.794913
where:
bonds (distance) C4'-P energy: -20.827
bonds (distance) P-C4' energy: -21.249
flat angles C4'-P-C4' energy: -23.336
flat angles P-C4'-P energy: -13.813
tors. eta vs tors. theta energy: -25.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -300.798877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.798877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.798877 (E_RNA)
where:
Base-Base interactions energy: -193.606
where: short stacking energy: -82.863
Base-Backbone interact. energy: -0.344
local terms energy: -106.848384
where:
bonds (distance) C4'-P energy: -19.792
bonds (distance) P-C4' energy: -23.275
flat angles C4'-P-C4' energy: -24.258
flat angles P-C4'-P energy: -18.026
tors. eta vs tors. theta energy: -21.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -264.771046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.771046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.771046 (E_RNA)
where:
Base-Base interactions energy: -168.096
where: short stacking energy: -80.424
Base-Backbone interact. energy: -0.142
local terms energy: -96.533912
where:
bonds (distance) C4'-P energy: -17.623
bonds (distance) P-C4' energy: -20.703
flat angles C4'-P-C4' energy: -22.663
flat angles P-C4'-P energy: -15.703
tors. eta vs tors. theta energy: -19.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -273.430738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.430738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.430738 (E_RNA)
where:
Base-Base interactions energy: -184.062
where: short stacking energy: -84.236
Base-Backbone interact. energy: -0.298
local terms energy: -89.071267
where:
bonds (distance) C4'-P energy: -16.926
bonds (distance) P-C4' energy: -21.121
flat angles C4'-P-C4' energy: -16.395
flat angles P-C4'-P energy: -13.127
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: 8, replica: 7
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -218.242167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.242167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.242167 (E_RNA)
where:
Base-Base interactions energy: -132.656
where: short stacking energy: -63.610
Base-Backbone interact. energy: -0.280
local terms energy: -85.305391
where:
bonds (distance) C4'-P energy: -23.877
bonds (distance) P-C4' energy: -22.148
flat angles C4'-P-C4' energy: -11.295
flat angles P-C4'-P energy: -14.219
tors. eta vs tors. theta energy: -13.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -238.112060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.112060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.112060 (E_RNA)
where:
Base-Base interactions energy: -147.338
where: short stacking energy: -65.517
Base-Backbone interact. energy: -0.299
local terms energy: -90.474879
where:
bonds (distance) C4'-P energy: -18.802
bonds (distance) P-C4' energy: -21.544
flat angles C4'-P-C4' energy: -18.361
flat angles P-C4'-P energy: -14.653
tors. eta vs tors. theta energy: -17.115
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: 10, replica: 2
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -113.232744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.232744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.232744 (E_RNA)
where:
Base-Base interactions energy: -38.071
where: short stacking energy: -32.621
Base-Backbone interact. energy: -0.067
local terms energy: -75.095150
where:
bonds (distance) C4'-P energy: -16.583
bonds (distance) P-C4' energy: -21.170
flat angles C4'-P-C4' energy: -22.862
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -4.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -364.492861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.492861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.492861 (E_RNA)
where:
Base-Base interactions energy: -250.789
where: short stacking energy: -114.156
Base-Backbone interact. energy: -0.063
local terms energy: -113.641125
where:
bonds (distance) C4'-P energy: -24.983
bonds (distance) P-C4' energy: -14.548
flat angles C4'-P-C4' energy: -27.080
flat angles P-C4'-P energy: -15.017
tors. eta vs tors. theta energy: -32.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -352.164334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.164334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.164334 (E_RNA)
where:
Base-Base interactions energy: -232.742
where: short stacking energy: -113.055
Base-Backbone interact. energy: -0.398
local terms energy: -119.024319
where:
bonds (distance) C4'-P energy: -20.167
bonds (distance) P-C4' energy: -25.034
flat angles C4'-P-C4' energy: -24.948
flat angles P-C4'-P energy: -13.561
tors. eta vs tors. theta energy: -35.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -334.093343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.093343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.093343 (E_RNA)
where:
Base-Base interactions energy: -222.235
where: short stacking energy: -101.733
Base-Backbone interact. energy: -0.238
local terms energy: -111.620624
where:
bonds (distance) C4'-P energy: -22.976
bonds (distance) P-C4' energy: -23.158
flat angles C4'-P-C4' energy: -24.558
flat angles P-C4'-P energy: -14.772
tors. eta vs tors. theta energy: -26.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -279.249611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.249611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.249611 (E_RNA)
where:
Base-Base interactions energy: -174.669
where: short stacking energy: -88.918
Base-Backbone interact. energy: -0.084
local terms energy: -104.496973
where:
bonds (distance) C4'-P energy: -16.657
bonds (distance) P-C4' energy: -22.823
flat angles C4'-P-C4' energy: -23.856
flat angles P-C4'-P energy: -18.399
tors. eta vs tors. theta energy: -22.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -272.238615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.238615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.238615 (E_RNA)
where:
Base-Base interactions energy: -165.735
where: short stacking energy: -77.992
Base-Backbone interact. energy: -0.050
local terms energy: -106.453912
where:
bonds (distance) C4'-P energy: -22.916
bonds (distance) P-C4' energy: -20.123
flat angles C4'-P-C4' energy: -25.541
flat angles P-C4'-P energy: -16.603
tors. eta vs tors. theta energy: -21.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -240.503498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.503498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.503498 (E_RNA)
where:
Base-Base interactions energy: -139.728
where: short stacking energy: -60.482
Base-Backbone interact. energy: -0.188
local terms energy: -100.586990
where:
bonds (distance) C4'-P energy: -24.951
bonds (distance) P-C4' energy: -21.515
flat angles C4'-P-C4' energy: -20.765
flat angles P-C4'-P energy: -18.687
tors. eta vs tors. theta energy: -14.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -280.919345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.919345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.919345 (E_RNA)
where:
Base-Base interactions energy: -190.356
where: short stacking energy: -87.111
Base-Backbone interact. energy: -0.175
local terms energy: -90.387616
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -22.371
flat angles C4'-P-C4' energy: -17.991
flat angles P-C4'-P energy: -16.157
tors. eta vs tors. theta energy: -17.190
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: 9
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -248.587490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.587490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.587490 (E_RNA)
where:
Base-Base interactions energy: -147.571
where: short stacking energy: -60.822
Base-Backbone interact. energy: -1.284
local terms energy: -99.732528
where:
bonds (distance) C4'-P energy: -19.312
bonds (distance) P-C4' energy: -21.321
flat angles C4'-P-C4' energy: -24.999
flat angles P-C4'-P energy: -15.483
tors. eta vs tors. theta energy: -18.618
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: 7
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -219.694706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.694706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.694706 (E_RNA)
where:
Base-Base interactions energy: -125.851
where: short stacking energy: -52.319
Base-Backbone interact. energy: -1.749
local terms energy: -92.094220
where:
bonds (distance) C4'-P energy: -19.275
bonds (distance) P-C4' energy: -27.052
flat angles C4'-P-C4' energy: -21.367
flat angles P-C4'-P energy: -16.508
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: 10, replica: 2
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -110.901849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.901849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.901849 (E_RNA)
where:
Base-Base interactions energy: -48.068
where: short stacking energy: -34.898
Base-Backbone interact. energy: 0.058
local terms energy: -62.891526
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -19.012
flat angles C4'-P-C4' energy: -20.272
flat angles P-C4'-P energy: -8.173
tors. eta vs tors. theta energy: -0.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -352.667934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.667934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.667934 (E_RNA)
where:
Base-Base interactions energy: -234.192
where: short stacking energy: -111.884
Base-Backbone interact. energy: -0.420
local terms energy: -118.055886
where:
bonds (distance) C4'-P energy: -21.771
bonds (distance) P-C4' energy: -21.452
flat angles C4'-P-C4' energy: -25.733
flat angles P-C4'-P energy: -16.957
tors. eta vs tors. theta energy: -32.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -364.471471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.471471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.471471 (E_RNA)
where:
Base-Base interactions energy: -249.263
where: short stacking energy: -107.241
Base-Backbone interact. energy: -0.135
local terms energy: -115.073400
where:
bonds (distance) C4'-P energy: -22.719
bonds (distance) P-C4' energy: -28.115
flat angles C4'-P-C4' energy: -18.345
flat angles P-C4'-P energy: -11.285
tors. eta vs tors. theta energy: -34.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -326.299173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.299173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.299173 (E_RNA)
where:
Base-Base interactions energy: -224.524
where: short stacking energy: -91.567
Base-Backbone interact. energy: -0.297
local terms energy: -101.478215
where:
bonds (distance) C4'-P energy: -19.863
bonds (distance) P-C4' energy: -21.064
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -16.673
tors. eta vs tors. theta energy: -27.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -278.200009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.200009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.200009 (E_RNA)
where:
Base-Base interactions energy: -169.522
where: short stacking energy: -83.827
Base-Backbone interact. energy: -0.040
local terms energy: -108.638900
where:
bonds (distance) C4'-P energy: -19.561
bonds (distance) P-C4' energy: -22.318
flat angles C4'-P-C4' energy: -23.754
flat angles P-C4'-P energy: -18.245
tors. eta vs tors. theta energy: -24.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -275.684841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.684841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.684841 (E_RNA)
where:
Base-Base interactions energy: -191.243
where: short stacking energy: -82.882
Base-Backbone interact. energy: -0.146
local terms energy: -84.295315
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -17.453
flat angles C4'-P-C4' energy: -20.325
flat angles P-C4'-P energy: -12.545
tors. eta vs tors. theta energy: -20.242
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: 10
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -254.644354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.644354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.644354 (E_RNA)
where:
Base-Base interactions energy: -160.281
where: short stacking energy: -72.465
Base-Backbone interact. energy: -0.706
local terms energy: -93.656972
where:
bonds (distance) C4'-P energy: -18.531
bonds (distance) P-C4' energy: -21.581
flat angles C4'-P-C4' energy: -21.113
flat angles P-C4'-P energy: -15.201
tors. eta vs tors. theta energy: -17.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -251.320909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.320909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.320909 (E_RNA)
where:
Base-Base interactions energy: -151.906
where: short stacking energy: -72.096
Base-Backbone interact. energy: 0.558
local terms energy: -99.972660
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -24.614
flat angles C4'-P-C4' energy: -22.322
flat angles P-C4'-P energy: -16.676
tors. eta vs tors. theta energy: -20.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -245.815148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.815148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.815148 (E_RNA)
where:
Base-Base interactions energy: -159.161
where: short stacking energy: -71.524
Base-Backbone interact. energy: -0.100
local terms energy: -86.553484
where:
bonds (distance) C4'-P energy: -23.927
bonds (distance) P-C4' energy: -19.923
flat angles C4'-P-C4' energy: -16.715
flat angles P-C4'-P energy: -15.307
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: 9, replica: 7
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -209.209826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.209826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.209826 (E_RNA)
where:
Base-Base interactions energy: -122.542
where: short stacking energy: -51.136
Base-Backbone interact. energy: -0.369
local terms energy: -86.299068
where:
bonds (distance) C4'-P energy: -21.218
bonds (distance) P-C4' energy: -22.003
flat angles C4'-P-C4' energy: -20.990
flat angles P-C4'-P energy: -8.440
tors. eta vs tors. theta energy: -13.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -112.742647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.742647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.742647 (E_RNA)
where:
Base-Base interactions energy: -27.857
where: short stacking energy: -30.398
Base-Backbone interact. energy: -0.688
local terms energy: -84.197091
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -23.078
flat angles C4'-P-C4' energy: -24.934
flat angles P-C4'-P energy: -14.661
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: 1, replica: 4
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -352.881057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.881057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.881057 (E_RNA)
where:
Base-Base interactions energy: -242.260
where: short stacking energy: -103.382
Base-Backbone interact. energy: -0.857
local terms energy: -109.764658
where:
bonds (distance) C4'-P energy: -27.802
bonds (distance) P-C4' energy: -23.732
flat angles C4'-P-C4' energy: -22.678
flat angles P-C4'-P energy: -9.057
tors. eta vs tors. theta energy: -26.496
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: 5
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -355.658749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.658749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.658749 (E_RNA)
where:
Base-Base interactions energy: -241.515
where: short stacking energy: -105.961
Base-Backbone interact. energy: -0.423
local terms energy: -113.721159
where:
bonds (distance) C4'-P energy: -22.835
bonds (distance) P-C4' energy: -21.021
flat angles C4'-P-C4' energy: -25.123
flat angles P-C4'-P energy: -13.162
tors. eta vs tors. theta energy: -31.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -340.345461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.345461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.345461 (E_RNA)
where:
Base-Base interactions energy: -233.525
where: short stacking energy: -107.121
Base-Backbone interact. energy: 0.935
local terms energy: -107.755818
where:
bonds (distance) C4'-P energy: -22.301
bonds (distance) P-C4' energy: -23.918
flat angles C4'-P-C4' energy: -23.342
flat angles P-C4'-P energy: -12.953
tors. eta vs tors. theta energy: -25.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -307.609396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.609396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.609396 (E_RNA)
where:
Base-Base interactions energy: -203.005
where: short stacking energy: -92.011
Base-Backbone interact. energy: 0.219
local terms energy: -104.823867
where:
bonds (distance) C4'-P energy: -20.593
bonds (distance) P-C4' energy: -23.588
flat angles C4'-P-C4' energy: -21.854
flat angles P-C4'-P energy: -16.711
tors. eta vs tors. theta energy: -22.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -269.174854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.174854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.174854 (E_RNA)
where:
Base-Base interactions energy: -174.130
where: short stacking energy: -86.961
Base-Backbone interact. energy: -0.208
local terms energy: -94.837166
where:
bonds (distance) C4'-P energy: -20.190
bonds (distance) P-C4' energy: -17.430
flat angles C4'-P-C4' energy: -20.608
flat angles P-C4'-P energy: -19.889
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: 6, replica: 8
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -286.538111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.538111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.538111 (E_RNA)
where:
Base-Base interactions energy: -183.407
where: short stacking energy: -88.385
Base-Backbone interact. energy: -0.305
local terms energy: -102.825577
where:
bonds (distance) C4'-P energy: -19.887
bonds (distance) P-C4' energy: -20.995
flat angles C4'-P-C4' energy: -25.612
flat angles P-C4'-P energy: -14.111
tors. eta vs tors. theta energy: -22.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -261.692965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.692965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.692965 (E_RNA)
where:
Base-Base interactions energy: -162.833
where: short stacking energy: -83.481
Base-Backbone interact. energy: -0.114
local terms energy: -98.745158
where:
bonds (distance) C4'-P energy: -18.474
bonds (distance) P-C4' energy: -19.052
flat angles C4'-P-C4' energy: -23.482
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: -27.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -244.030824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.030824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.030824 (E_RNA)
where:
Base-Base interactions energy: -151.803
where: short stacking energy: -72.509
Base-Backbone interact. energy: -0.030
local terms energy: -92.197813
where:
bonds (distance) C4'-P energy: -15.155
bonds (distance) P-C4' energy: -20.213
flat angles C4'-P-C4' energy: -21.197
flat angles P-C4'-P energy: -16.411
tors. eta vs tors. theta energy: -19.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -229.110130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.110130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.110130 (E_RNA)
where:
Base-Base interactions energy: -140.941
where: short stacking energy: -61.336
Base-Backbone interact. energy: -0.699
local terms energy: -87.470294
where:
bonds (distance) C4'-P energy: -21.326
bonds (distance) P-C4' energy: -17.326
flat angles C4'-P-C4' energy: -17.539
flat angles P-C4'-P energy: -17.408
tors. eta vs tors. theta energy: -13.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -121.319787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.319787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.319787 (E_RNA)
where:
Base-Base interactions energy: -55.440
where: short stacking energy: -42.621
Base-Backbone interact. energy: -0.286
local terms energy: -65.594014
where:
bonds (distance) C4'-P energy: -17.378
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -16.129
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: -4.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -367.123020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.123020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.123020 (E_RNA)
where:
Base-Base interactions energy: -242.662
where: short stacking energy: -105.616
Base-Backbone interact. energy: -0.006
local terms energy: -124.455510
where:
bonds (distance) C4'-P energy: -19.590
bonds (distance) P-C4' energy: -25.606
flat angles C4'-P-C4' energy: -22.912
flat angles P-C4'-P energy: -20.759
tors. eta vs tors. theta energy: -35.588
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: 4
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -357.104607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.104607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.104607 (E_RNA)
where:
Base-Base interactions energy: -241.067
where: short stacking energy: -108.306
Base-Backbone interact. energy: -0.146
local terms energy: -115.891632
where:
bonds (distance) C4'-P energy: -23.742
bonds (distance) P-C4' energy: -21.149
flat angles C4'-P-C4' energy: -25.205
flat angles P-C4'-P energy: -15.057
tors. eta vs tors. theta energy: -30.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -306.290745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.290745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.290745 (E_RNA)
where:
Base-Base interactions energy: -195.109
where: short stacking energy: -90.031
Base-Backbone interact. energy: -0.233
local terms energy: -110.948532
where:
bonds (distance) C4'-P energy: -22.985
bonds (distance) P-C4' energy: -23.328
flat angles C4'-P-C4' energy: -26.287
flat angles P-C4'-P energy: -12.280
tors. eta vs tors. theta energy: -26.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -330.795520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.795520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.795520 (E_RNA)
where:
Base-Base interactions energy: -220.368
where: short stacking energy: -103.424
Base-Backbone interact. energy: 0.433
local terms energy: -110.860921
where:
bonds (distance) C4'-P energy: -20.394
bonds (distance) P-C4' energy: -20.009
flat angles C4'-P-C4' energy: -22.295
flat angles P-C4'-P energy: -16.760
tors. eta vs tors. theta energy: -31.403
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: 5, replica: 8
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -285.814280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.814280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.814280 (E_RNA)
where:
Base-Base interactions energy: -185.391
where: short stacking energy: -100.871
Base-Backbone interact. energy: -0.121
local terms energy: -100.301847
where:
bonds (distance) C4'-P energy: -20.327
bonds (distance) P-C4' energy: -14.757
flat angles C4'-P-C4' energy: -20.948
flat angles P-C4'-P energy: -17.766
tors. eta vs tors. theta energy: -26.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -262.502791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.502791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.502791 (E_RNA)
where:
Base-Base interactions energy: -168.023
where: short stacking energy: -81.650
Base-Backbone interact. energy: -0.636
local terms energy: -93.843352
where:
bonds (distance) C4'-P energy: -24.806
bonds (distance) P-C4' energy: -22.648
flat angles C4'-P-C4' energy: -18.874
flat angles P-C4'-P energy: -7.317
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: 7, replica: 10
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -252.541045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.541045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.541045 (E_RNA)
where:
Base-Base interactions energy: -163.684
where: short stacking energy: -76.607
Base-Backbone interact. energy: 0.671
local terms energy: -89.528480
where:
bonds (distance) C4'-P energy: -24.900
bonds (distance) P-C4' energy: -16.760
flat angles C4'-P-C4' energy: -15.836
flat angles P-C4'-P energy: -12.882
tors. eta vs tors. theta energy: -19.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -197.573117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.573117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.573117 (E_RNA)
where:
Base-Base interactions energy: -106.141
where: short stacking energy: -49.261
Base-Backbone interact. energy: -0.116
local terms energy: -91.316056
where:
bonds (distance) C4'-P energy: -23.046
bonds (distance) P-C4' energy: -20.136
flat angles C4'-P-C4' energy: -23.009
flat angles P-C4'-P energy: -15.244
tors. eta vs tors. theta energy: -9.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -222.088273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.088273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.088273 (E_RNA)
where:
Base-Base interactions energy: -141.690
where: short stacking energy: -67.424
Base-Backbone interact. energy: -1.621
local terms energy: -78.777915
where:
bonds (distance) C4'-P energy: -21.464
bonds (distance) P-C4' energy: -20.324
flat angles C4'-P-C4' energy: -14.431
flat angles P-C4'-P energy: -4.348
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: 10, replica: 2
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -114.193596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.193596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.193596 (E_RNA)
where:
Base-Base interactions energy: -35.023
where: short stacking energy: -35.023
Base-Backbone interact. energy: 0.794
local terms energy: -79.964734
where:
bonds (distance) C4'-P energy: -18.846
bonds (distance) P-C4' energy: -21.267
flat angles C4'-P-C4' energy: -20.645
flat angles P-C4'-P energy: -12.845
tors. eta vs tors. theta energy: -6.363
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: 5
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -375.808926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.808926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.808926 (E_RNA)
where:
Base-Base interactions energy: -261.282
where: short stacking energy: -111.555
Base-Backbone interact. energy: -0.015
local terms energy: -114.512153
where:
bonds (distance) C4'-P energy: -20.273
bonds (distance) P-C4' energy: -23.507
flat angles C4'-P-C4' energy: -19.774
flat angles P-C4'-P energy: -18.180
tors. eta vs tors. theta energy: -32.777
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: 4
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -337.995182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.995182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.995182 (E_RNA)
where:
Base-Base interactions energy: -229.806
where: short stacking energy: -99.621
Base-Backbone interact. energy: -0.144
local terms energy: -108.045381
where:
bonds (distance) C4'-P energy: -22.504
bonds (distance) P-C4' energy: -19.632
flat angles C4'-P-C4' energy: -19.906
flat angles P-C4'-P energy: -17.816
tors. eta vs tors. theta energy: -28.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -322.314861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.314861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.314861 (E_RNA)
where:
Base-Base interactions energy: -218.628
where: short stacking energy: -95.703
Base-Backbone interact. energy: -0.157
local terms energy: -103.529920
where:
bonds (distance) C4'-P energy: -17.766
bonds (distance) P-C4' energy: -25.790
flat angles C4'-P-C4' energy: -24.648
flat angles P-C4'-P energy: -14.597
tors. eta vs tors. theta energy: -20.729
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: 1
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -309.573427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.573427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.573427 (E_RNA)
where:
Base-Base interactions energy: -216.361
where: short stacking energy: -75.105
Base-Backbone interact. energy: -0.518
local terms energy: -92.694717
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -19.181
flat angles C4'-P-C4' energy: -24.736
flat angles P-C4'-P energy: -15.793
tors. eta vs tors. theta energy: -16.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -263.283725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.283725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.283725 (E_RNA)
where:
Base-Base interactions energy: -170.046
where: short stacking energy: -83.956
Base-Backbone interact. energy: -0.124
local terms energy: -93.113417
where:
bonds (distance) C4'-P energy: -17.839
bonds (distance) P-C4' energy: -20.883
flat angles C4'-P-C4' energy: -23.010
flat angles P-C4'-P energy: -10.743
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: 6, replica: 10
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -262.899346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.899346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.899346 (E_RNA)
where:
Base-Base interactions energy: -174.192
where: short stacking energy: -86.866
Base-Backbone interact. energy: -0.266
local terms energy: -88.441001
where:
bonds (distance) C4'-P energy: -15.491
bonds (distance) P-C4' energy: -16.825
flat angles C4'-P-C4' energy: -22.444
flat angles P-C4'-P energy: -12.105
tors. eta vs tors. theta energy: -21.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -256.451165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.451165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.451165 (E_RNA)
where:
Base-Base interactions energy: -169.921
where: short stacking energy: -90.216
Base-Backbone interact. energy: -0.022
local terms energy: -86.507725
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -23.603
flat angles C4'-P-C4' energy: -14.672
flat angles P-C4'-P energy: -11.221
tors. eta vs tors. theta energy: -21.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -248.504181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.504181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.504181 (E_RNA)
where:
Base-Base interactions energy: -155.856
where: short stacking energy: -62.265
Base-Backbone interact. energy: -0.222
local terms energy: -92.426010
where:
bonds (distance) C4'-P energy: -19.807
bonds (distance) P-C4' energy: -20.057
flat angles C4'-P-C4' energy: -18.549
flat angles P-C4'-P energy: -17.122
tors. eta vs tors. theta energy: -16.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -193.904478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.904478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.904478 (E_RNA)
where:
Base-Base interactions energy: -109.177
where: short stacking energy: -47.236
Base-Backbone interact. energy: -0.293
local terms energy: -84.433679
where:
bonds (distance) C4'-P energy: -17.027
bonds (distance) P-C4' energy: -23.093
flat angles C4'-P-C4' energy: -19.208
flat angles P-C4'-P energy: -15.098
tors. eta vs tors. theta energy: -10.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -127.852299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.852299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.852299 (E_RNA)
where:
Base-Base interactions energy: -57.330
where: short stacking energy: -46.113
Base-Backbone interact. energy: 0.307
local terms energy: -70.829600
where:
bonds (distance) C4'-P energy: -20.934
bonds (distance) P-C4' energy: -19.851
flat angles C4'-P-C4' energy: -20.641
flat angles P-C4'-P energy: -7.929
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: 5
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -371.370157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.370157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.370157 (E_RNA)
where:
Base-Base interactions energy: -247.450
where: short stacking energy: -105.013
Base-Backbone interact. energy: -0.200
local terms energy: -123.720687
where:
bonds (distance) C4'-P energy: -23.868
bonds (distance) P-C4' energy: -22.182
flat angles C4'-P-C4' energy: -26.477
flat angles P-C4'-P energy: -17.370
tors. eta vs tors. theta energy: -33.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -344.578934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.578934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.578934 (E_RNA)
where:
Base-Base interactions energy: -230.291
where: short stacking energy: -97.950
Base-Backbone interact. energy: -0.322
local terms energy: -113.965873
where:
bonds (distance) C4'-P energy: -23.247
bonds (distance) P-C4' energy: -23.118
flat angles C4'-P-C4' energy: -27.066
flat angles P-C4'-P energy: -15.904
tors. eta vs tors. theta energy: -24.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -338.012178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.012178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.012178 (E_RNA)
where:
Base-Base interactions energy: -232.303
where: short stacking energy: -98.139
Base-Backbone interact. energy: -0.641
local terms energy: -105.068517
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -18.710
flat angles C4'-P-C4' energy: -24.785
flat angles P-C4'-P energy: -17.279
tors. eta vs tors. theta energy: -28.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -293.545537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.545537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.545537 (E_RNA)
where:
Base-Base interactions energy: -190.633
where: short stacking energy: -72.893
Base-Backbone interact. energy: -0.552
local terms energy: -102.360835
where:
bonds (distance) C4'-P energy: -24.255
bonds (distance) P-C4' energy: -27.041
flat angles C4'-P-C4' energy: -23.820
flat angles P-C4'-P energy: -15.966
tors. eta vs tors. theta energy: -11.278
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: 10
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -281.318010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.318010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.318010 (E_RNA)
where:
Base-Base interactions energy: -178.855
where: short stacking energy: -77.351
Base-Backbone interact. energy: -0.088
local terms energy: -102.374536
where:
bonds (distance) C4'-P energy: -19.697
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -20.874
flat angles P-C4'-P energy: -15.753
tors. eta vs tors. theta energy: -27.594
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: 8
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -259.259407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.259407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.259407 (E_RNA)
where:
Base-Base interactions energy: -172.869
where: short stacking energy: -75.047
Base-Backbone interact. energy: 0.545
local terms energy: -86.934963
where:
bonds (distance) C4'-P energy: -22.445
bonds (distance) P-C4' energy: -20.209
flat angles C4'-P-C4' energy: -13.822
flat angles P-C4'-P energy: -12.608
tors. eta vs tors. theta energy: -17.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -252.313764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.313764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.313764 (E_RNA)
where:
Base-Base interactions energy: -156.792
where: short stacking energy: -62.606
Base-Backbone interact. energy: -0.405
local terms energy: -95.117281
where:
bonds (distance) C4'-P energy: -21.795
bonds (distance) P-C4' energy: -21.353
flat angles C4'-P-C4' energy: -22.145
flat angles P-C4'-P energy: -14.696
tors. eta vs tors. theta energy: -15.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -210.927627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.927627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.927627 (E_RNA)
where:
Base-Base interactions energy: -130.148
where: short stacking energy: -55.565
Base-Backbone interact. energy: -0.242
local terms energy: -80.538116
where:
bonds (distance) C4'-P energy: -22.090
bonds (distance) P-C4' energy: -19.536
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -14.764
tors. eta vs tors. theta energy: -8.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -205.069372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.069372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.069372 (E_RNA)
where:
Base-Base interactions energy: -135.065
where: short stacking energy: -67.070
Base-Backbone interact. energy: -0.131
local terms energy: -69.873658
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -19.801
flat angles C4'-P-C4' energy: -15.624
flat angles P-C4'-P energy: -12.803
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: 10, replica: 2
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -102.553534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.553534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.553534 (E_RNA)
where:
Base-Base interactions energy: -38.032
where: short stacking energy: -37.387
Base-Backbone interact. energy: -0.216
local terms energy: -64.305463
where:
bonds (distance) C4'-P energy: -20.690
bonds (distance) P-C4' energy: -12.967
flat angles C4'-P-C4' energy: -18.858
flat angles P-C4'-P energy: -11.043
tors. eta vs tors. theta energy: -0.748
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: 5
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -361.256447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.256447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.256447 (E_RNA)
where:
Base-Base interactions energy: -239.189
where: short stacking energy: -111.125
Base-Backbone interact. energy: -0.190
local terms energy: -121.877892
where:
bonds (distance) C4'-P energy: -25.895
bonds (distance) P-C4' energy: -18.345
flat angles C4'-P-C4' energy: -24.979
flat angles P-C4'-P energy: -16.595
tors. eta vs tors. theta energy: -36.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -332.042718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.042718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.042718 (E_RNA)
where:
Base-Base interactions energy: -220.989
where: short stacking energy: -96.614
Base-Backbone interact. energy: -0.383
local terms energy: -110.671066
where:
bonds (distance) C4'-P energy: -15.474
bonds (distance) P-C4' energy: -25.024
flat angles C4'-P-C4' energy: -27.289
flat angles P-C4'-P energy: -17.307
tors. eta vs tors. theta energy: -25.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -315.217963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.217963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.217963 (E_RNA)
where:
Base-Base interactions energy: -207.790
where: short stacking energy: -95.330
Base-Backbone interact. energy: -0.138
local terms energy: -107.289381
where:
bonds (distance) C4'-P energy: -18.045
bonds (distance) P-C4' energy: -23.007
flat angles C4'-P-C4' energy: -23.370
flat angles P-C4'-P energy: -16.949
tors. eta vs tors. theta energy: -25.918
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: 289
Temperature: 1.050000
Total energy: -288.283109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.283109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.283109 (E_RNA)
where:
Base-Base interactions energy: -176.667
where: short stacking energy: -87.066
Base-Backbone interact. energy: -0.502
local terms energy: -111.114511
where:
bonds (distance) C4'-P energy: -21.915
bonds (distance) P-C4' energy: -25.385
flat angles C4'-P-C4' energy: -23.105
flat angles P-C4'-P energy: -19.514
tors. eta vs tors. theta energy: -21.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -276.619343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.619343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.619343 (E_RNA)
where:
Base-Base interactions energy: -175.119
where: short stacking energy: -81.395
Base-Backbone interact. energy: -0.378
local terms energy: -101.122726
where:
bonds (distance) C4'-P energy: -20.802
bonds (distance) P-C4' energy: -21.273
flat angles C4'-P-C4' energy: -22.346
flat angles P-C4'-P energy: -15.041
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: 6, replica: 6
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -246.411057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.411057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.411057 (E_RNA)
where:
Base-Base interactions energy: -160.030
where: short stacking energy: -70.993
Base-Backbone interact. energy: -0.152
local terms energy: -86.228986
where:
bonds (distance) C4'-P energy: -19.874
bonds (distance) P-C4' energy: -17.043
flat angles C4'-P-C4' energy: -22.767
flat angles P-C4'-P energy: -12.378
tors. eta vs tors. theta energy: -14.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -260.102797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.102797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.102797 (E_RNA)
where:
Base-Base interactions energy: -177.564
where: short stacking energy: -83.935
Base-Backbone interact. energy: -0.641
local terms energy: -81.897590
where:
bonds (distance) C4'-P energy: -6.379
bonds (distance) P-C4' energy: -20.028
flat angles C4'-P-C4' energy: -24.086
flat angles P-C4'-P energy: -13.162
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: 8, replica: 7
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -220.031941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.031941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.031941 (E_RNA)
where:
Base-Base interactions energy: -142.855
where: short stacking energy: -68.009
Base-Backbone interact. energy: -0.315
local terms energy: -76.861742
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -17.795
flat angles C4'-P-C4' energy: -26.155
flat angles P-C4'-P energy: -8.066
tors. eta vs tors. theta energy: -9.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -236.288026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.288026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.288026 (E_RNA)
where:
Base-Base interactions energy: -155.803
where: short stacking energy: -63.593
Base-Backbone interact. energy: -0.370
local terms energy: -80.115328
where:
bonds (distance) C4'-P energy: -18.334
bonds (distance) P-C4' energy: -21.236
flat angles C4'-P-C4' energy: -16.874
flat angles P-C4'-P energy: -13.524
tors. eta vs tors. theta energy: -10.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -113.210346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.210346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.210346 (E_RNA)
where:
Base-Base interactions energy: -51.180
where: short stacking energy: -32.904
Base-Backbone interact. energy: 1.047
local terms energy: -63.077271
where:
bonds (distance) C4'-P energy: -20.161
bonds (distance) P-C4' energy: -17.433
flat angles C4'-P-C4' energy: -18.375
flat angles P-C4'-P energy: -10.874
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: 1, replica: 5
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -363.497258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.497258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.497258 (E_RNA)
where:
Base-Base interactions energy: -250.770
where: short stacking energy: -110.181
Base-Backbone interact. energy: -0.018
local terms energy: -112.708785
where:
bonds (distance) C4'-P energy: -17.963
bonds (distance) P-C4' energy: -25.302
flat angles C4'-P-C4' energy: -21.126
flat angles P-C4'-P energy: -15.444
tors. eta vs tors. theta energy: -32.874
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: 4
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -334.330775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.330775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.330775 (E_RNA)
where:
Base-Base interactions energy: -227.832
where: short stacking energy: -100.697
Base-Backbone interact. energy: 0.844
local terms energy: -107.343034
where:
bonds (distance) C4'-P energy: -23.360
bonds (distance) P-C4' energy: -21.021
flat angles C4'-P-C4' energy: -22.265
flat angles P-C4'-P energy: -17.211
tors. eta vs tors. theta energy: -23.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -337.910795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.910795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.910795 (E_RNA)
where:
Base-Base interactions energy: -222.260
where: short stacking energy: -99.789
Base-Backbone interact. energy: -0.073
local terms energy: -115.578142
where:
bonds (distance) C4'-P energy: -23.082
bonds (distance) P-C4' energy: -22.297
flat angles C4'-P-C4' energy: -20.661
flat angles P-C4'-P energy: -17.873
tors. eta vs tors. theta energy: -31.665
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: 4, replica: 10
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -293.319481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.319481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.319481 (E_RNA)
where:
Base-Base interactions energy: -188.138
where: short stacking energy: -90.051
Base-Backbone interact. energy: 1.075
local terms energy: -106.256129
where:
bonds (distance) C4'-P energy: -16.301
bonds (distance) P-C4' energy: -22.628
flat angles C4'-P-C4' energy: -23.353
flat angles P-C4'-P energy: -17.334
tors. eta vs tors. theta energy: -26.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -263.353789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.353789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.353789 (E_RNA)
where:
Base-Base interactions energy: -164.977
where: short stacking energy: -78.935
Base-Backbone interact. energy: -0.036
local terms energy: -98.341510
where:
bonds (distance) C4'-P energy: -25.508
bonds (distance) P-C4' energy: -20.648
flat angles C4'-P-C4' energy: -22.686
flat angles P-C4'-P energy: -13.356
tors. eta vs tors. theta energy: -16.144
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: 3
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -272.007559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.007559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.007559 (E_RNA)
where:
Base-Base interactions energy: -175.085
where: short stacking energy: -76.820
Base-Backbone interact. energy: -0.389
local terms energy: -96.534358
where:
bonds (distance) C4'-P energy: -20.173
bonds (distance) P-C4' energy: -18.337
flat angles C4'-P-C4' energy: -16.731
flat angles P-C4'-P energy: -18.058
tors. eta vs tors. theta energy: -23.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -250.872558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.872558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.872558 (E_RNA)
where:
Base-Base interactions energy: -168.331
where: short stacking energy: -78.111
Base-Backbone interact. energy: -0.228
local terms energy: -82.314348
where:
bonds (distance) C4'-P energy: -13.364
bonds (distance) P-C4' energy: -23.150
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -13.552
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: 8, replica: 7
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -210.882265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.882265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.882265 (E_RNA)
where:
Base-Base interactions energy: -131.423
where: short stacking energy: -49.495
Base-Backbone interact. energy: 2.417
local terms energy: -81.876072
where:
bonds (distance) C4'-P energy: -23.776
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -18.494
flat angles P-C4'-P energy: -12.637
tors. eta vs tors. theta energy: -11.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -248.200292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.200292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.200292 (E_RNA)
where:
Base-Base interactions energy: -166.999
where: short stacking energy: -73.031
Base-Backbone interact. energy: -0.333
local terms energy: -80.867395
where:
bonds (distance) C4'-P energy: -20.765
bonds (distance) P-C4' energy: -20.672
flat angles C4'-P-C4' energy: -21.998
flat angles P-C4'-P energy: -3.511
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: 10, replica: 2
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -119.386831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.386831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.386831 (E_RNA)
where:
Base-Base interactions energy: -47.435
where: short stacking energy: -41.943
Base-Backbone interact. energy: 0.090
local terms energy: -72.041522
where:
bonds (distance) C4'-P energy: -20.252
bonds (distance) P-C4' energy: -22.408
flat angles C4'-P-C4' energy: -19.790
flat angles P-C4'-P energy: -13.960
tors. eta vs tors. theta energy: 4.369
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: 5
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -373.423904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.423904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.423904 (E_RNA)
where:
Base-Base interactions energy: -255.218
where: short stacking energy: -115.882
Base-Backbone interact. energy: -0.058
local terms energy: -118.147945
where:
bonds (distance) C4'-P energy: -23.043
bonds (distance) P-C4' energy: -19.573
flat angles C4'-P-C4' energy: -24.114
flat angles P-C4'-P energy: -18.239
tors. eta vs tors. theta energy: -33.179
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: 1
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -349.257963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.257963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.257963 (E_RNA)
where:
Base-Base interactions energy: -235.961
where: short stacking energy: -109.316
Base-Backbone interact. energy: 1.863
local terms energy: -115.160042
where:
bonds (distance) C4'-P energy: -22.208
bonds (distance) P-C4' energy: -23.800
flat angles C4'-P-C4' energy: -26.154
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -32.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -315.771874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.771874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.771874 (E_RNA)
where:
Base-Base interactions energy: -214.395
where: short stacking energy: -98.189
Base-Backbone interact. energy: -1.053
local terms energy: -100.323679
where:
bonds (distance) C4'-P energy: -21.611
bonds (distance) P-C4' energy: -23.410
flat angles C4'-P-C4' energy: -20.956
flat angles P-C4'-P energy: -9.567
tors. eta vs tors. theta energy: -24.780
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: 291
Temperature: 1.050000
Total energy: -275.931024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.931024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.931024 (E_RNA)
where:
Base-Base interactions energy: -177.713
where: short stacking energy: -80.849
Base-Backbone interact. energy: -0.204
local terms energy: -98.014394
where:
bonds (distance) C4'-P energy: -23.030
bonds (distance) P-C4' energy: -23.251
flat angles C4'-P-C4' energy: -20.585
flat angles P-C4'-P energy: -15.604
tors. eta vs tors. theta energy: -15.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -282.176408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.176408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.176408 (E_RNA)
where:
Base-Base interactions energy: -188.287
where: short stacking energy: -85.471
Base-Backbone interact. energy: -0.537
local terms energy: -93.352169
where:
bonds (distance) C4'-P energy: -19.086
bonds (distance) P-C4' energy: -18.170
flat angles C4'-P-C4' energy: -18.384
flat angles P-C4'-P energy: -17.175
tors. eta vs tors. theta energy: -20.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -268.509313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.509313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.509313 (E_RNA)
where:
Base-Base interactions energy: -166.017
where: short stacking energy: -80.523
Base-Backbone interact. energy: -0.291
local terms energy: -102.201873
where:
bonds (distance) C4'-P energy: -24.764
bonds (distance) P-C4' energy: -23.238
flat angles C4'-P-C4' energy: -22.334
flat angles P-C4'-P energy: -15.255
tors. eta vs tors. theta energy: -16.611
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: 3
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -264.032564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.032564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.032564 (E_RNA)
where:
Base-Base interactions energy: -177.230
where: short stacking energy: -88.894
Base-Backbone interact. energy: -0.091
local terms energy: -86.711996
where:
bonds (distance) C4'-P energy: -13.297
bonds (distance) P-C4' energy: -17.151
flat angles C4'-P-C4' energy: -20.929
flat angles P-C4'-P energy: -13.306
tors. eta vs tors. theta energy: -22.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -247.836227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.836227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.836227 (E_RNA)
where:
Base-Base interactions energy: -163.498
where: short stacking energy: -74.596
Base-Backbone interact. energy: -0.331
local terms energy: -84.007254
where:
bonds (distance) C4'-P energy: -14.543
bonds (distance) P-C4' energy: -17.374
flat angles C4'-P-C4' energy: -22.179
flat angles P-C4'-P energy: -16.352
tors. eta vs tors. theta energy: -13.559
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: 7
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -188.041191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.041191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.041191 (E_RNA)
where:
Base-Base interactions energy: -107.940
where: short stacking energy: -45.383
Base-Backbone interact. energy: -0.726
local terms energy: -79.375388
where:
bonds (distance) C4'-P energy: -22.292
bonds (distance) P-C4' energy: -16.885
flat angles C4'-P-C4' energy: -15.988
flat angles P-C4'-P energy: -16.133
tors. eta vs tors. theta energy: -8.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -102.835098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.835098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.835098 (E_RNA)
where:
Base-Base interactions energy: -33.780
where: short stacking energy: -30.029
Base-Backbone interact. energy: -0.222
local terms energy: -68.833477
where:
bonds (distance) C4'-P energy: -21.891
bonds (distance) P-C4' energy: -19.862
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -9.742
tors. eta vs tors. theta energy: -3.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -356.428866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.428866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.428866 (E_RNA)
where:
Base-Base interactions energy: -235.387
where: short stacking energy: -111.951
Base-Backbone interact. energy: -0.107
local terms energy: -120.935090
where:
bonds (distance) C4'-P energy: -22.727
bonds (distance) P-C4' energy: -20.735
flat angles C4'-P-C4' energy: -23.318
flat angles P-C4'-P energy: -19.900
tors. eta vs tors. theta energy: -34.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -336.995505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.995505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.995505 (E_RNA)
where:
Base-Base interactions energy: -217.304
where: short stacking energy: -99.779
Base-Backbone interact. energy: -0.280
local terms energy: -119.410631
where:
bonds (distance) C4'-P energy: -23.810
bonds (distance) P-C4' energy: -24.123
flat angles C4'-P-C4' energy: -23.225
flat angles P-C4'-P energy: -16.894
tors. eta vs tors. theta energy: -31.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -336.321029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.321029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.321029 (E_RNA)
where:
Base-Base interactions energy: -226.832
where: short stacking energy: -99.196
Base-Backbone interact. energy: -0.204
local terms energy: -109.285136
where:
bonds (distance) C4'-P energy: -22.169
bonds (distance) P-C4' energy: -17.743
flat angles C4'-P-C4' energy: -24.341
flat angles P-C4'-P energy: -16.626
tors. eta vs tors. theta energy: -28.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -280.390583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.390583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.390583 (E_RNA)
where:
Base-Base interactions energy: -186.617
where: short stacking energy: -88.397
Base-Backbone interact. energy: -0.541
local terms energy: -93.231910
where:
bonds (distance) C4'-P energy: -19.563
bonds (distance) P-C4' energy: -20.739
flat angles C4'-P-C4' energy: -18.643
flat angles P-C4'-P energy: -14.028
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: 5, replica: 8
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -298.955601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.955601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.955601 (E_RNA)
where:
Base-Base interactions energy: -190.535
where: short stacking energy: -96.875
Base-Backbone interact. energy: -0.042
local terms energy: -108.378694
where:
bonds (distance) C4'-P energy: -18.467
bonds (distance) P-C4' energy: -21.656
flat angles C4'-P-C4' energy: -24.813
flat angles P-C4'-P energy: -18.273
tors. eta vs tors. theta energy: -25.169
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: 10
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -276.804169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.804169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.804169 (E_RNA)
where:
Base-Base interactions energy: -173.082
where: short stacking energy: -82.814
Base-Backbone interact. energy: -0.130
local terms energy: -103.592413
where:
bonds (distance) C4'-P energy: -20.952
bonds (distance) P-C4' energy: -23.834
flat angles C4'-P-C4' energy: -20.545
flat angles P-C4'-P energy: -16.027
tors. eta vs tors. theta energy: -22.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -264.976524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.976524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.976524 (E_RNA)
where:
Base-Base interactions energy: -172.091
where: short stacking energy: -81.348
Base-Backbone interact. energy: -0.280
local terms energy: -92.605716
where:
bonds (distance) C4'-P energy: -16.199
bonds (distance) P-C4' energy: -19.236
flat angles C4'-P-C4' energy: -18.882
flat angles P-C4'-P energy: -16.378
tors. eta vs tors. theta energy: -21.911
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: 9
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -257.052028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.052028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.052028 (E_RNA)
where:
Base-Base interactions energy: -165.253
where: short stacking energy: -76.521
Base-Backbone interact. energy: -0.272
local terms energy: -91.526674
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -24.793
flat angles C4'-P-C4' energy: -20.910
flat angles P-C4'-P energy: -17.345
tors. eta vs tors. theta energy: -12.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -216.648102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.648102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.648102 (E_RNA)
where:
Base-Base interactions energy: -128.684
where: short stacking energy: -65.638
Base-Backbone interact. energy: 1.644
local terms energy: -89.608561
where:
bonds (distance) C4'-P energy: -23.344
bonds (distance) P-C4' energy: -18.071
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -19.362
tors. eta vs tors. theta energy: -13.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -101.318007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.318007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.318007 (E_RNA)
where:
Base-Base interactions energy: -43.931
where: short stacking energy: -36.904
Base-Backbone interact. energy: -0.247
local terms energy: -57.139761
where:
bonds (distance) C4'-P energy: -19.367
bonds (distance) P-C4' energy: -18.627
flat angles C4'-P-C4' energy: -4.822
flat angles P-C4'-P energy: -8.994
tors. eta vs tors. theta energy: -5.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -368.141133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.141133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.141133 (E_RNA)
where:
Base-Base interactions energy: -249.645
where: short stacking energy: -108.132
Base-Backbone interact. energy: -0.038
local terms energy: -118.458221
where:
bonds (distance) C4'-P energy: -21.021
bonds (distance) P-C4' energy: -22.190
flat angles C4'-P-C4' energy: -26.436
flat angles P-C4'-P energy: -16.899
tors. eta vs tors. theta energy: -31.912
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: 4
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -332.747779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.747779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.747779 (E_RNA)
where:
Base-Base interactions energy: -217.772
where: short stacking energy: -102.158
Base-Backbone interact. energy: -0.135
local terms energy: -114.841281
where:
bonds (distance) C4'-P energy: -24.992
bonds (distance) P-C4' energy: -22.792
flat angles C4'-P-C4' energy: -24.349
flat angles P-C4'-P energy: -17.214
tors. eta vs tors. theta energy: -25.495
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: 1
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -346.016526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.016526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.016526 (E_RNA)
where:
Base-Base interactions energy: -235.788
where: short stacking energy: -108.491
Base-Backbone interact. energy: 0.509
local terms energy: -110.736864
where:
bonds (distance) C4'-P energy: -18.088
bonds (distance) P-C4' energy: -18.173
flat angles C4'-P-C4' energy: -26.114
flat angles P-C4'-P energy: -16.712
tors. eta vs tors. theta energy: -31.650
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: 8
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -284.857155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.857155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.857155 (E_RNA)
where:
Base-Base interactions energy: -179.935
where: short stacking energy: -65.186
Base-Backbone interact. energy: -0.165
local terms energy: -104.756535
where:
bonds (distance) C4'-P energy: -21.350
bonds (distance) P-C4' energy: -27.153
flat angles C4'-P-C4' energy: -22.375
flat angles P-C4'-P energy: -15.799
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: 6
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -269.082284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.082284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.082284 (E_RNA)
where:
Base-Base interactions energy: -170.680
where: short stacking energy: -78.628
Base-Backbone interact. energy: -0.084
local terms energy: -98.318675
where:
bonds (distance) C4'-P energy: -21.226
bonds (distance) P-C4' energy: -20.572
flat angles C4'-P-C4' energy: -15.936
flat angles P-C4'-P energy: -19.013
tors. eta vs tors. theta energy: -21.571
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: 6, replica: 3
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -283.303912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.303912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.303912 (E_RNA)
where:
Base-Base interactions energy: -196.384
where: short stacking energy: -94.185
Base-Backbone interact. energy: -0.030
local terms energy: -86.889920
where:
bonds (distance) C4'-P energy: -17.665
bonds (distance) P-C4' energy: -19.653
flat angles C4'-P-C4' energy: -17.026
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -22.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -258.541296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.541296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.541296 (E_RNA)
where:
Base-Base interactions energy: -165.321
where: short stacking energy: -75.016
Base-Backbone interact. energy: -0.130
local terms energy: -93.090995
where:
bonds (distance) C4'-P energy: -17.861
bonds (distance) P-C4' energy: -20.535
flat angles C4'-P-C4' energy: -20.522
flat angles P-C4'-P energy: -18.053
tors. eta vs tors. theta energy: -16.119
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: 8, replica: 7
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -220.479332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.479332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.479332 (E_RNA)
where:
Base-Base interactions energy: -144.646
where: short stacking energy: -64.376
Base-Backbone interact. energy: -0.413
local terms energy: -75.419822
where:
bonds (distance) C4'-P energy: -19.093
bonds (distance) P-C4' energy: -16.775
flat angles C4'-P-C4' energy: -18.946
flat angles P-C4'-P energy: -12.100
tors. eta vs tors. theta energy: -8.505
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: 9
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -235.198646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.198646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.198646 (E_RNA)
where:
Base-Base interactions energy: -146.858
where: short stacking energy: -78.434
Base-Backbone interact. energy: -0.206
local terms energy: -88.135063
where:
bonds (distance) C4'-P energy: -21.395
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -13.097
flat angles P-C4'-P energy: -18.016
tors. eta vs tors. theta energy: -17.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -116.847789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.847789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.847789 (E_RNA)
where:
Base-Base interactions energy: -40.959
where: short stacking energy: -35.932
Base-Backbone interact. energy: -0.345
local terms energy: -75.543374
where:
bonds (distance) C4'-P energy: -21.871
bonds (distance) P-C4' energy: -24.814
flat angles C4'-P-C4' energy: -19.402
flat angles P-C4'-P energy: -10.109
tors. eta vs tors. theta energy: 0.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -370.029325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.029325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.029325 (E_RNA)
where:
Base-Base interactions energy: -253.822
where: short stacking energy: -105.389
Base-Backbone interact. energy: -0.028
local terms energy: -116.179504
where:
bonds (distance) C4'-P energy: -21.734
bonds (distance) P-C4' energy: -20.335
flat angles C4'-P-C4' energy: -26.220
flat angles P-C4'-P energy: -16.343
tors. eta vs tors. theta energy: -31.547
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: 4
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -330.183524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.183524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.183524 (E_RNA)
where:
Base-Base interactions energy: -214.808
where: short stacking energy: -89.205
Base-Backbone interact. energy: 0.435
local terms energy: -115.810272
where:
bonds (distance) C4'-P energy: -22.469
bonds (distance) P-C4' energy: -23.848
flat angles C4'-P-C4' energy: -25.998
flat angles P-C4'-P energy: -14.214
tors. eta vs tors. theta energy: -29.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -341.147711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.147711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.147711 (E_RNA)
where:
Base-Base interactions energy: -231.120
where: short stacking energy: -107.065
Base-Backbone interact. energy: -0.084
local terms energy: -109.943120
where:
bonds (distance) C4'-P energy: -19.929
bonds (distance) P-C4' energy: -21.212
flat angles C4'-P-C4' energy: -23.934
flat angles P-C4'-P energy: -15.295
tors. eta vs tors. theta energy: -29.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -296.913411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.913411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.913411 (E_RNA)
where:
Base-Base interactions energy: -198.422
where: short stacking energy: -76.350
Base-Backbone interact. energy: -1.062
local terms energy: -97.429407
where:
bonds (distance) C4'-P energy: -14.071
bonds (distance) P-C4' energy: -19.252
flat angles C4'-P-C4' energy: -24.052
flat angles P-C4'-P energy: -16.739
tors. eta vs tors. theta energy: -23.316
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: 5, replica: 3
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -277.601598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.601598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.601598 (E_RNA)
where:
Base-Base interactions energy: -165.174
where: short stacking energy: -90.682
Base-Backbone interact. energy: -0.035
local terms energy: -112.392735
where:
bonds (distance) C4'-P energy: -23.435
bonds (distance) P-C4' energy: -24.176
flat angles C4'-P-C4' energy: -23.186
flat angles P-C4'-P energy: -12.322
tors. eta vs tors. theta energy: -29.274
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: 6
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -284.079059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.079059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.079059 (E_RNA)
where:
Base-Base interactions energy: -172.075
where: short stacking energy: -89.915
Base-Backbone interact. energy: 0.104
local terms energy: -112.108668
where:
bonds (distance) C4'-P energy: -20.090
bonds (distance) P-C4' energy: -26.629
flat angles C4'-P-C4' energy: -24.255
flat angles P-C4'-P energy: -18.062
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: 7, replica: 10
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -259.443829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.443829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.443829 (E_RNA)
where:
Base-Base interactions energy: -171.119
where: short stacking energy: -82.439
Base-Backbone interact. energy: -0.771
local terms energy: -87.553757
where:
bonds (distance) C4'-P energy: -20.716
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -16.904
flat angles P-C4'-P energy: -13.905
tors. eta vs tors. theta energy: -20.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -228.882238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.882238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.882238 (E_RNA)
where:
Base-Base interactions energy: -144.368
where: short stacking energy: -61.524
Base-Backbone interact. energy: -0.075
local terms energy: -84.439121
where:
bonds (distance) C4'-P energy: -21.031
bonds (distance) P-C4' energy: -21.553
flat angles C4'-P-C4' energy: -23.283
flat angles P-C4'-P energy: -8.561
tors. eta vs tors. theta energy: -10.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -233.416837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.416837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.416837 (E_RNA)
where:
Base-Base interactions energy: -150.984
where: short stacking energy: -64.804
Base-Backbone interact. energy: -0.872
local terms energy: -81.561085
where:
bonds (distance) C4'-P energy: -16.030
bonds (distance) P-C4' energy: -20.882
flat angles C4'-P-C4' energy: -13.367
flat angles P-C4'-P energy: -14.030
tors. eta vs tors. theta energy: -17.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -109.747059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.747059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.747059 (E_RNA)
where:
Base-Base interactions energy: -44.397
where: short stacking energy: -37.233
Base-Backbone interact. energy: 0.054
local terms energy: -65.404797
where:
bonds (distance) C4'-P energy: -18.269
bonds (distance) P-C4' energy: -20.291
flat angles C4'-P-C4' energy: -8.855
flat angles P-C4'-P energy: -14.544
tors. eta vs tors. theta energy: -3.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -371.306334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.306334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.306334 (E_RNA)
where:
Base-Base interactions energy: -247.931
where: short stacking energy: -110.061
Base-Backbone interact. energy: -0.117
local terms energy: -123.257842
where:
bonds (distance) C4'-P energy: -24.520
bonds (distance) P-C4' energy: -26.321
flat angles C4'-P-C4' energy: -23.213
flat angles P-C4'-P energy: -15.561
tors. eta vs tors. theta energy: -33.643
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: 1
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -326.443439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.443439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.443439 (E_RNA)
where:
Base-Base interactions energy: -220.826
where: short stacking energy: -109.239
Base-Backbone interact. energy: -0.170
local terms energy: -105.446528
where:
bonds (distance) C4'-P energy: -18.271
bonds (distance) P-C4' energy: -17.092
flat angles C4'-P-C4' energy: -24.914
flat angles P-C4'-P energy: -15.071
tors. eta vs tors. theta energy: -30.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -316.184723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.184723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.184723 (E_RNA)
where:
Base-Base interactions energy: -212.972
where: short stacking energy: -89.788
Base-Backbone interact. energy: -0.759
local terms energy: -102.454241
where:
bonds (distance) C4'-P energy: -22.155
bonds (distance) P-C4' energy: -16.539
flat angles C4'-P-C4' energy: -24.052
flat angles P-C4'-P energy: -16.968
tors. eta vs tors. theta energy: -22.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -283.111510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.111510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.111510 (E_RNA)
where:
Base-Base interactions energy: -176.836
where: short stacking energy: -88.636
Base-Backbone interact. energy: -0.301
local terms energy: -105.974631
where:
bonds (distance) C4'-P energy: -18.096
bonds (distance) P-C4' energy: -23.591
flat angles C4'-P-C4' energy: -24.773
flat angles P-C4'-P energy: -16.949
tors. eta vs tors. theta energy: -22.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -274.895744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.895744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.895744 (E_RNA)
where:
Base-Base interactions energy: -182.125
where: short stacking energy: -77.664
Base-Backbone interact. energy: -0.173
local terms energy: -92.597256
where:
bonds (distance) C4'-P energy: -22.057
bonds (distance) P-C4' energy: -22.728
flat angles C4'-P-C4' energy: -18.180
flat angles P-C4'-P energy: -13.879
tors. eta vs tors. theta energy: -15.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -251.504451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.504451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.504451 (E_RNA)
where:
Base-Base interactions energy: -161.581
where: short stacking energy: -74.201
Base-Backbone interact. energy: -0.078
local terms energy: -89.846238
where:
bonds (distance) C4'-P energy: -16.663
bonds (distance) P-C4' energy: -21.551
flat angles C4'-P-C4' energy: -22.558
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -18.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -259.601448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.601448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.601448 (E_RNA)
where:
Base-Base interactions energy: -171.063
where: short stacking energy: -74.081
Base-Backbone interact. energy: -0.759
local terms energy: -87.778790
where:
bonds (distance) C4'-P energy: -20.795
bonds (distance) P-C4' energy: -18.887
flat angles C4'-P-C4' energy: -21.577
flat angles P-C4'-P energy: -9.548
tors. eta vs tors. theta energy: -16.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -236.097493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.097493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.097493 (E_RNA)
where:
Base-Base interactions energy: -146.055
where: short stacking energy: -70.078
Base-Backbone interact. energy: 3.199
local terms energy: -93.241807
where:
bonds (distance) C4'-P energy: -22.707
bonds (distance) P-C4' energy: -19.530
flat angles C4'-P-C4' energy: -18.789
flat angles P-C4'-P energy: -15.405
tors. eta vs tors. theta energy: -16.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -201.425592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.425592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.425592 (E_RNA)
where:
Base-Base interactions energy: -127.482
where: short stacking energy: -63.741
Base-Backbone interact. energy: -0.227
local terms energy: -73.716791
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -16.983
flat angles C4'-P-C4' energy: -18.606
flat angles P-C4'-P energy: -10.904
tors. eta vs tors. theta energy: -10.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -111.507852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.507852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.507852 (E_RNA)
where:
Base-Base interactions energy: -49.881
where: short stacking energy: -32.185
Base-Backbone interact. energy: -2.073
local terms energy: -59.554063
where:
bonds (distance) C4'-P energy: -18.793
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: 1.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -366.526035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.526035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.526035 (E_RNA)
where:
Base-Base interactions energy: -250.012
where: short stacking energy: -111.564
Base-Backbone interact. energy: -0.007
local terms energy: -116.507631
where:
bonds (distance) C4'-P energy: -22.222
bonds (distance) P-C4' energy: -19.733
flat angles C4'-P-C4' energy: -19.280
flat angles P-C4'-P energy: -18.908
tors. eta vs tors. theta energy: -36.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -339.134880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.134880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.134880 (E_RNA)
where:
Base-Base interactions energy: -226.558
where: short stacking energy: -106.387
Base-Backbone interact. energy: -0.791
local terms energy: -111.786132
where:
bonds (distance) C4'-P energy: -22.256
bonds (distance) P-C4' energy: -22.217
flat angles C4'-P-C4' energy: -25.762
flat angles P-C4'-P energy: -16.084
tors. eta vs tors. theta energy: -25.467
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: 4
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -329.747116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.747116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.747116 (E_RNA)
where:
Base-Base interactions energy: -223.887
where: short stacking energy: -106.378
Base-Backbone interact. energy: -0.106
local terms energy: -105.753365
where:
bonds (distance) C4'-P energy: -21.139
bonds (distance) P-C4' energy: -22.033
flat angles C4'-P-C4' energy: -23.094
flat angles P-C4'-P energy: -14.544
tors. eta vs tors. theta energy: -24.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -285.053124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.053124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.053124 (E_RNA)
where:
Base-Base interactions energy: -186.513
where: short stacking energy: -84.654
Base-Backbone interact. energy: -0.636
local terms energy: -97.904980
where:
bonds (distance) C4'-P energy: -22.902
bonds (distance) P-C4' energy: -17.836
flat angles C4'-P-C4' energy: -22.525
flat angles P-C4'-P energy: -17.455
tors. eta vs tors. theta energy: -17.187
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: 296
Temperature: 1.100000
Total energy: -277.478077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.478077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.478077 (E_RNA)
where:
Base-Base interactions energy: -176.083
where: short stacking energy: -84.181
Base-Backbone interact. energy: -0.063
local terms energy: -101.332013
where:
bonds (distance) C4'-P energy: -19.864
bonds (distance) P-C4' energy: -20.660
flat angles C4'-P-C4' energy: -19.328
flat angles P-C4'-P energy: -16.534
tors. eta vs tors. theta energy: -24.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -272.411016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.411016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.411016 (E_RNA)
where:
Base-Base interactions energy: -167.872
where: short stacking energy: -82.946
Base-Backbone interact. energy: 0.523
local terms energy: -105.061990
where:
bonds (distance) C4'-P energy: -21.369
bonds (distance) P-C4' energy: -23.432
flat angles C4'-P-C4' energy: -22.415
flat angles P-C4'-P energy: -12.536
tors. eta vs tors. theta energy: -25.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -248.023967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.023967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.023967 (E_RNA)
where:
Base-Base interactions energy: -161.774
where: short stacking energy: -67.122
Base-Backbone interact. energy: -0.620
local terms energy: -85.629282
where:
bonds (distance) C4'-P energy: -21.850
bonds (distance) P-C4' energy: -22.043
flat angles C4'-P-C4' energy: -16.733
flat angles P-C4'-P energy: -11.220
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: 8, replica: 9
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -234.535009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.535009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.535009 (E_RNA)
where:
Base-Base interactions energy: -155.387
where: short stacking energy: -65.150
Base-Backbone interact. energy: 0.327
local terms energy: -79.475025
where:
bonds (distance) C4'-P energy: -15.570
bonds (distance) P-C4' energy: -20.529
flat angles C4'-P-C4' energy: -22.026
flat angles P-C4'-P energy: -13.274
tors. eta vs tors. theta energy: -8.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -201.317276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.317276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.317276 (E_RNA)
where:
Base-Base interactions energy: -128.785
where: short stacking energy: -63.968
Base-Backbone interact. energy: 1.765
local terms energy: -74.297029
where:
bonds (distance) C4'-P energy: -17.312
bonds (distance) P-C4' energy: -19.717
flat angles C4'-P-C4' energy: -16.770
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: -12.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -107.575286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.575286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.575286 (E_RNA)
where:
Base-Base interactions energy: -29.523
where: short stacking energy: -25.558
Base-Backbone interact. energy: -0.191
local terms energy: -77.861282
where:
bonds (distance) C4'-P energy: -20.731
bonds (distance) P-C4' energy: -23.595
flat angles C4'-P-C4' energy: -17.446
flat angles P-C4'-P energy: -11.634
tors. eta vs tors. theta energy: -4.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -372.109654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.109654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.109654 (E_RNA)
where:
Base-Base interactions energy: -253.974
where: short stacking energy: -107.632
Base-Backbone interact. energy: -0.205
local terms energy: -117.931102
where:
bonds (distance) C4'-P energy: -21.448
bonds (distance) P-C4' energy: -19.970
flat angles C4'-P-C4' energy: -26.432
flat angles P-C4'-P energy: -18.110
tors. eta vs tors. theta energy: -31.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -326.851545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.851545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.851545 (E_RNA)
where:
Base-Base interactions energy: -214.716
where: short stacking energy: -86.881
Base-Backbone interact. energy: -0.354
local terms energy: -111.782539
where:
bonds (distance) C4'-P energy: -21.187
bonds (distance) P-C4' energy: -22.974
flat angles C4'-P-C4' energy: -25.550
flat angles P-C4'-P energy: -20.698
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: 3, replica: 4
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -314.225236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.225236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.225236 (E_RNA)
where:
Base-Base interactions energy: -206.946
where: short stacking energy: -93.769
Base-Backbone interact. energy: -0.465
local terms energy: -106.814552
where:
bonds (distance) C4'-P energy: -23.095
bonds (distance) P-C4' energy: -21.893
flat angles C4'-P-C4' energy: -16.419
flat angles P-C4'-P energy: -17.664
tors. eta vs tors. theta energy: -27.744
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: 8
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -291.434461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.434461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.434461 (E_RNA)
where:
Base-Base interactions energy: -185.647
where: short stacking energy: -92.522
Base-Backbone interact. energy: -0.721
local terms energy: -105.066630
where:
bonds (distance) C4'-P energy: -20.507
bonds (distance) P-C4' energy: -23.640
flat angles C4'-P-C4' energy: -23.024
flat angles P-C4'-P energy: -18.357
tors. eta vs tors. theta energy: -19.538
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: 297
Temperature: 1.100000
Total energy: -265.238750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.238750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.238750 (E_RNA)
where:
Base-Base interactions energy: -169.727
where: short stacking energy: -84.101
Base-Backbone interact. energy: -0.057
local terms energy: -95.454364
where:
bonds (distance) C4'-P energy: -18.785
bonds (distance) P-C4' energy: -21.268
flat angles C4'-P-C4' energy: -21.661
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -24.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -266.830964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.830964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.830964 (E_RNA)
where:
Base-Base interactions energy: -177.725
where: short stacking energy: -85.682
Base-Backbone interact. energy: -0.689
local terms energy: -88.417114
where:
bonds (distance) C4'-P energy: -23.049
bonds (distance) P-C4' energy: -13.498
flat angles C4'-P-C4' energy: -18.154
flat angles P-C4'-P energy: -12.908
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: 7, replica: 6
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -249.777932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.777932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.777932 (E_RNA)
where:
Base-Base interactions energy: -160.736
where: short stacking energy: -79.991
Base-Backbone interact. energy: -0.124
local terms energy: -88.917825
where:
bonds (distance) C4'-P energy: -18.886
bonds (distance) P-C4' energy: -22.381
flat angles C4'-P-C4' energy: -17.213
flat angles P-C4'-P energy: -11.838
tors. eta vs tors. theta energy: -18.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -243.078413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.078413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.078413 (E_RNA)
where:
Base-Base interactions energy: -157.190
where: short stacking energy: -71.818
Base-Backbone interact. energy: 0.736
local terms energy: -86.624923
where:
bonds (distance) C4'-P energy: -19.899
bonds (distance) P-C4' energy: -24.024
flat angles C4'-P-C4' energy: -11.736
flat angles P-C4'-P energy: -12.863
tors. eta vs tors. theta energy: -18.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -239.328746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.328746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.328746 (E_RNA)
where:
Base-Base interactions energy: -161.269
where: short stacking energy: -64.084
Base-Backbone interact. energy: -0.695
local terms energy: -77.364450
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -18.767
flat angles C4'-P-C4' energy: -11.524
flat angles P-C4'-P energy: -18.149
tors. eta vs tors. theta energy: -13.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -107.162161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.162161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.162161 (E_RNA)
where:
Base-Base interactions energy: -39.115
where: short stacking energy: -37.823
Base-Backbone interact. energy: -0.225
local terms energy: -67.821505
where:
bonds (distance) C4'-P energy: -18.530
bonds (distance) P-C4' energy: -16.423
flat angles C4'-P-C4' energy: -20.692
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -1.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -365.527354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.527354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.527354 (E_RNA)
where:
Base-Base interactions energy: -245.037
where: short stacking energy: -101.629
Base-Backbone interact. energy: -0.195
local terms energy: -120.295135
where:
bonds (distance) C4'-P energy: -21.581
bonds (distance) P-C4' energy: -22.926
flat angles C4'-P-C4' energy: -23.118
flat angles P-C4'-P energy: -18.449
tors. eta vs tors. theta energy: -34.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -350.619405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.619405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.619405 (E_RNA)
where:
Base-Base interactions energy: -237.037
where: short stacking energy: -107.064
Base-Backbone interact. energy: 0.185
local terms energy: -113.767444
where:
bonds (distance) C4'-P energy: -18.672
bonds (distance) P-C4' energy: -23.183
flat angles C4'-P-C4' energy: -21.197
flat angles P-C4'-P energy: -17.412
tors. eta vs tors. theta energy: -33.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -331.307016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.307016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.307016 (E_RNA)
where:
Base-Base interactions energy: -221.977
where: short stacking energy: -92.553
Base-Backbone interact. energy: -1.266
local terms energy: -108.063688
where:
bonds (distance) C4'-P energy: -22.089
bonds (distance) P-C4' energy: -19.930
flat angles C4'-P-C4' energy: -21.998
flat angles P-C4'-P energy: -18.233
tors. eta vs tors. theta energy: -25.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -293.739603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.739603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.739603 (E_RNA)
where:
Base-Base interactions energy: -193.052
where: short stacking energy: -83.783
Base-Backbone interact. energy: -0.219
local terms energy: -100.468861
where:
bonds (distance) C4'-P energy: -20.941
bonds (distance) P-C4' energy: -16.857
flat angles C4'-P-C4' energy: -24.270
flat angles P-C4'-P energy: -14.776
tors. eta vs tors. theta energy: -23.625
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: 3
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -271.815513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.815513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.815513 (E_RNA)
where:
Base-Base interactions energy: -171.191
where: short stacking energy: -82.552
Base-Backbone interact. energy: -0.087
local terms energy: -100.537939
where:
bonds (distance) C4'-P energy: -22.404
bonds (distance) P-C4' energy: -19.904
flat angles C4'-P-C4' energy: -23.854
flat angles P-C4'-P energy: -16.336
tors. eta vs tors. theta energy: -18.040
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: 10
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -268.904268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.904268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.904268 (E_RNA)
where:
Base-Base interactions energy: -175.081
where: short stacking energy: -72.418
Base-Backbone interact. energy: -0.497
local terms energy: -93.326769
where:
bonds (distance) C4'-P energy: -20.819
bonds (distance) P-C4' energy: -22.799
flat angles C4'-P-C4' energy: -20.143
flat angles P-C4'-P energy: -12.754
tors. eta vs tors. theta energy: -16.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -273.441015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.441015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.441015 (E_RNA)
where:
Base-Base interactions energy: -170.302
where: short stacking energy: -82.900
Base-Backbone interact. energy: -0.818
local terms energy: -102.321421
where:
bonds (distance) C4'-P energy: -12.779
bonds (distance) P-C4' energy: -22.227
flat angles C4'-P-C4' energy: -25.520
flat angles P-C4'-P energy: -18.578
tors. eta vs tors. theta energy: -23.217
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: 6
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -239.960089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.960089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.960089 (E_RNA)
where:
Base-Base interactions energy: -166.436
where: short stacking energy: -81.462
Base-Backbone interact. energy: 1.040
local terms energy: -74.563982
where:
bonds (distance) C4'-P energy: -19.415
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -6.592
tors. eta vs tors. theta energy: -18.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -252.282393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.282393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.282393 (E_RNA)
where:
Base-Base interactions energy: -163.860
where: short stacking energy: -77.054
Base-Backbone interact. energy: -0.296
local terms energy: -88.125488
where:
bonds (distance) C4'-P energy: -16.821
bonds (distance) P-C4' energy: -23.161
flat angles C4'-P-C4' energy: -21.684
flat angles P-C4'-P energy: -8.032
tors. eta vs tors. theta energy: -18.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -125.665866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.665866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.665866 (E_RNA)
where:
Base-Base interactions energy: -58.520
where: short stacking energy: -36.742
Base-Backbone interact. energy: 1.006
local terms energy: -68.151698
where:
bonds (distance) C4'-P energy: -10.443
bonds (distance) P-C4' energy: -23.548
flat angles C4'-P-C4' energy: -12.663
flat angles P-C4'-P energy: -16.543
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: 1, replica: 5
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -372.172716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.172716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.172716 (E_RNA)
where:
Base-Base interactions energy: -254.638
where: short stacking energy: -111.757
Base-Backbone interact. energy: -0.003
local terms energy: -117.531220
where:
bonds (distance) C4'-P energy: -23.572
bonds (distance) P-C4' energy: -23.257
flat angles C4'-P-C4' energy: -23.151
flat angles P-C4'-P energy: -12.020
tors. eta vs tors. theta energy: -35.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -333.389861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.389861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.389861 (E_RNA)
where:
Base-Base interactions energy: -227.816
where: short stacking energy: -103.957
Base-Backbone interact. energy: -0.166
local terms energy: -105.407772
where:
bonds (distance) C4'-P energy: -20.256
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -26.180
flat angles P-C4'-P energy: -14.544
tors. eta vs tors. theta energy: -27.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -334.006825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.006825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.006825 (E_RNA)
where:
Base-Base interactions energy: -222.304
where: short stacking energy: -101.483
Base-Backbone interact. energy: -0.679
local terms energy: -111.023474
where:
bonds (distance) C4'-P energy: -24.631
bonds (distance) P-C4' energy: -24.187
flat angles C4'-P-C4' energy: -18.695
flat angles P-C4'-P energy: -15.143
tors. eta vs tors. theta energy: -28.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -279.726833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.726833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.726833 (E_RNA)
where:
Base-Base interactions energy: -173.477
where: short stacking energy: -76.913
Base-Backbone interact. energy: 0.418
local terms energy: -106.667274
where:
bonds (distance) C4'-P energy: -21.588
bonds (distance) P-C4' energy: -20.163
flat angles C4'-P-C4' energy: -23.314
flat angles P-C4'-P energy: -18.473
tors. eta vs tors. theta energy: -23.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -270.528170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.528170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.528170 (E_RNA)
where:
Base-Base interactions energy: -173.654
where: short stacking energy: -75.609
Base-Backbone interact. energy: -0.672
local terms energy: -96.202593
where:
bonds (distance) C4'-P energy: -17.712
bonds (distance) P-C4' energy: -23.100
flat angles C4'-P-C4' energy: -27.901
flat angles P-C4'-P energy: -12.353
tors. eta vs tors. theta energy: -15.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -250.671384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.671384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.671384 (E_RNA)
where:
Base-Base interactions energy: -155.318
where: short stacking energy: -70.776
Base-Backbone interact. energy: -0.216
local terms energy: -95.136609
where:
bonds (distance) C4'-P energy: -23.738
bonds (distance) P-C4' energy: -14.099
flat angles C4'-P-C4' energy: -23.143
flat angles P-C4'-P energy: -16.884
tors. eta vs tors. theta energy: -17.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -250.192790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.192790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.192790 (E_RNA)
where:
Base-Base interactions energy: -161.378
where: short stacking energy: -72.269
Base-Backbone interact. energy: -0.281
local terms energy: -88.534370
where:
bonds (distance) C4'-P energy: -17.596
bonds (distance) P-C4' energy: -21.154
flat angles C4'-P-C4' energy: -19.917
flat angles P-C4'-P energy: -13.429
tors. eta vs tors. theta energy: -16.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -250.022085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.022085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.022085 (E_RNA)
where:
Base-Base interactions energy: -171.165
where: short stacking energy: -80.419
Base-Backbone interact. energy: -0.126
local terms energy: -78.730584
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -20.898
flat angles C4'-P-C4' energy: -19.866
flat angles P-C4'-P energy: -7.741
tors. eta vs tors. theta energy: -15.200
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: 9, replica: 6
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -234.872399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.872399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.872399 (E_RNA)
where:
Base-Base interactions energy: -151.389
where: short stacking energy: -61.902
Base-Backbone interact. energy: -0.130
local terms energy: -83.353924
where:
bonds (distance) C4'-P energy: -18.235
bonds (distance) P-C4' energy: -22.003
flat angles C4'-P-C4' energy: -17.332
flat angles P-C4'-P energy: -12.388
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: 10, replica: 2
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -101.677116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.677116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.677116 (E_RNA)
where:
Base-Base interactions energy: -32.961
where: short stacking energy: -29.816
Base-Backbone interact. energy: -0.000
local terms energy: -68.716068
where:
bonds (distance) C4'-P energy: -22.102
bonds (distance) P-C4' energy: -24.293
flat angles C4'-P-C4' energy: -12.661
flat angles P-C4'-P energy: -11.542
tors. eta vs tors. theta energy: 1.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -365.183985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.183985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.183985 (E_RNA)
where:
Base-Base interactions energy: -248.796
where: short stacking energy: -109.560
Base-Backbone interact. energy: -0.262
local terms energy: -116.126455
where:
bonds (distance) C4'-P energy: -21.769
bonds (distance) P-C4' energy: -23.391
flat angles C4'-P-C4' energy: -23.364
flat angles P-C4'-P energy: -14.912
tors. eta vs tors. theta energy: -32.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -338.570201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.570201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.570201 (E_RNA)
where:
Base-Base interactions energy: -240.737
where: short stacking energy: -85.418
Base-Backbone interact. energy: -0.519
local terms energy: -97.314037
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -24.060
flat angles C4'-P-C4' energy: -20.881
flat angles P-C4'-P energy: -15.397
tors. eta vs tors. theta energy: -23.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -336.417589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.417589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.417589 (E_RNA)
where:
Base-Base interactions energy: -231.241
where: short stacking energy: -92.423
Base-Backbone interact. energy: -0.226
local terms energy: -104.950579
where:
bonds (distance) C4'-P energy: -23.299
bonds (distance) P-C4' energy: -24.268
flat angles C4'-P-C4' energy: -17.570
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: -29.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -287.333432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.333432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.333432 (E_RNA)
where:
Base-Base interactions energy: -188.188
where: short stacking energy: -76.872
Base-Backbone interact. energy: -0.962
local terms energy: -98.183242
where:
bonds (distance) C4'-P energy: -22.110
bonds (distance) P-C4' energy: -18.938
flat angles C4'-P-C4' energy: -27.630
flat angles P-C4'-P energy: -13.637
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: 8
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -296.367609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.367609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.367609 (E_RNA)
where:
Base-Base interactions energy: -191.119
where: short stacking energy: -90.849
Base-Backbone interact. energy: 0.412
local terms energy: -105.660504
where:
bonds (distance) C4'-P energy: -23.179
bonds (distance) P-C4' energy: -28.157
flat angles C4'-P-C4' energy: -19.139
flat angles P-C4'-P energy: -10.845
tors. eta vs tors. theta energy: -24.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -259.544253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.544253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.544253 (E_RNA)
where:
Base-Base interactions energy: -165.776
where: short stacking energy: -74.614
Base-Backbone interact. energy: -0.400
local terms energy: -93.368538
where:
bonds (distance) C4'-P energy: -18.148
bonds (distance) P-C4' energy: -21.861
flat angles C4'-P-C4' energy: -19.844
flat angles P-C4'-P energy: -15.236
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: 7, replica: 7
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -254.500717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.500717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.500717 (E_RNA)
where:
Base-Base interactions energy: -155.004
where: short stacking energy: -70.165
Base-Backbone interact. energy: -0.511
local terms energy: -98.985448
where:
bonds (distance) C4'-P energy: -16.841
bonds (distance) P-C4' energy: -23.615
flat angles C4'-P-C4' energy: -20.888
flat angles P-C4'-P energy: -20.455
tors. eta vs tors. theta energy: -17.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -263.366404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.366404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.366404 (E_RNA)
where:
Base-Base interactions energy: -184.904
where: short stacking energy: -75.787
Base-Backbone interact. energy: -0.367
local terms energy: -78.095783
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -21.144
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -14.596
tors. eta vs tors. theta energy: -15.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -214.320719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.320719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.320719 (E_RNA)
where:
Base-Base interactions energy: -132.464
where: short stacking energy: -55.028
Base-Backbone interact. energy: 0.488
local terms energy: -82.343973
where:
bonds (distance) C4'-P energy: -17.350
bonds (distance) P-C4' energy: -21.028
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -12.455
tors. eta vs tors. theta energy: -14.823
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: 2
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -110.379359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.379359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.379359 (E_RNA)
where:
Base-Base interactions energy: -33.872
where: short stacking energy: -32.699
Base-Backbone interact. energy: -0.343
local terms energy: -76.164177
where:
bonds (distance) C4'-P energy: -21.733
bonds (distance) P-C4' energy: -21.863
flat angles C4'-P-C4' energy: -12.597
flat angles P-C4'-P energy: -11.303
tors. eta vs tors. theta energy: -8.668
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: 5
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -374.486637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.486637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.486637 (E_RNA)
where:
Base-Base interactions energy: -252.392
where: short stacking energy: -112.045
Base-Backbone interact. energy: 0.341
local terms energy: -122.436418
where:
bonds (distance) C4'-P energy: -20.464
bonds (distance) P-C4' energy: -24.353
flat angles C4'-P-C4' energy: -23.348
flat angles P-C4'-P energy: -18.861
tors. eta vs tors. theta energy: -35.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -338.966388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.966388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.966388 (E_RNA)
where:
Base-Base interactions energy: -218.435
where: short stacking energy: -94.189
Base-Backbone interact. energy: -0.184
local terms energy: -120.347500
where:
bonds (distance) C4'-P energy: -25.737
bonds (distance) P-C4' energy: -22.693
flat angles C4'-P-C4' energy: -23.633
flat angles P-C4'-P energy: -19.982
tors. eta vs tors. theta energy: -28.302
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: 4
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -323.841474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.841474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.841474 (E_RNA)
where:
Base-Base interactions energy: -216.265
where: short stacking energy: -84.758
Base-Backbone interact. energy: -0.316
local terms energy: -107.260849
where:
bonds (distance) C4'-P energy: -25.111
bonds (distance) P-C4' energy: -23.770
flat angles C4'-P-C4' energy: -18.048
flat angles P-C4'-P energy: -16.037
tors. eta vs tors. theta energy: -24.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -291.275156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.275156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.275156 (E_RNA)
where:
Base-Base interactions energy: -194.942
where: short stacking energy: -94.003
Base-Backbone interact. energy: -0.111
local terms energy: -96.221969
where:
bonds (distance) C4'-P energy: -18.955
bonds (distance) P-C4' energy: -21.344
flat angles C4'-P-C4' energy: -18.372
flat angles P-C4'-P energy: -12.604
tors. eta vs tors. theta energy: -24.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -279.305561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.305561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.305561 (E_RNA)
where:
Base-Base interactions energy: -159.007
where: short stacking energy: -81.676
Base-Backbone interact. energy: -1.342
local terms energy: -118.956815
where:
bonds (distance) C4'-P energy: -22.793
bonds (distance) P-C4' energy: -24.300
flat angles C4'-P-C4' energy: -24.915
flat angles P-C4'-P energy: -20.658
tors. eta vs tors. theta energy: -26.290
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: 301
Temperature: 1.150000
Total energy: -252.089479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.089479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.089479 (E_RNA)
where:
Base-Base interactions energy: -162.794
where: short stacking energy: -79.445
Base-Backbone interact. energy: -0.670
local terms energy: -88.625810
where:
bonds (distance) C4'-P energy: -20.632
bonds (distance) P-C4' energy: -21.726
flat angles C4'-P-C4' energy: -16.193
flat angles P-C4'-P energy: -12.403
tors. eta vs tors. theta energy: -17.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -269.582634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.582634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.582634 (E_RNA)
where:
Base-Base interactions energy: -173.716
where: short stacking energy: -83.323
Base-Backbone interact. energy: -0.019
local terms energy: -95.847722
where:
bonds (distance) C4'-P energy: -11.204
bonds (distance) P-C4' energy: -25.409
flat angles C4'-P-C4' energy: -18.659
flat angles P-C4'-P energy: -18.726
tors. eta vs tors. theta energy: -21.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -214.204375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.204375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.204375 (E_RNA)
where:
Base-Base interactions energy: -131.105
where: short stacking energy: -65.278
Base-Backbone interact. energy: 0.297
local terms energy: -83.395859
where:
bonds (distance) C4'-P energy: -21.273
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -20.709
flat angles P-C4'-P energy: -11.325
tors. eta vs tors. theta energy: -16.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -241.370382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.370382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.370382 (E_RNA)
where:
Base-Base interactions energy: -158.132
where: short stacking energy: -72.390
Base-Backbone interact. energy: -0.545
local terms energy: -82.693226
where:
bonds (distance) C4'-P energy: -17.905
bonds (distance) P-C4' energy: -19.451
flat angles C4'-P-C4' energy: -21.107
flat angles P-C4'-P energy: -11.600
tors. eta vs tors. theta energy: -12.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -128.409832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.409832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.409832 (E_RNA)
where:
Base-Base interactions energy: -54.014
where: short stacking energy: -39.223
Base-Backbone interact. energy: -1.450
local terms energy: -72.945077
where:
bonds (distance) C4'-P energy: -24.114
bonds (distance) P-C4' energy: -13.576
flat angles C4'-P-C4' energy: -12.705
flat angles P-C4'-P energy: -10.807
tors. eta vs tors. theta energy: -11.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -379.500968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.500968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.500968 (E_RNA)
where:
Base-Base interactions energy: -262.523
where: short stacking energy: -114.786
Base-Backbone interact. energy: -0.033
local terms energy: -116.945173
where:
bonds (distance) C4'-P energy: -23.869
bonds (distance) P-C4' energy: -20.979
flat angles C4'-P-C4' energy: -24.536
flat angles P-C4'-P energy: -15.761
tors. eta vs tors. theta energy: -31.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -344.561554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.561554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.561554 (E_RNA)
where:
Base-Base interactions energy: -225.501
where: short stacking energy: -103.093
Base-Backbone interact. energy: 1.599
local terms energy: -120.660307
where:
bonds (distance) C4'-P energy: -22.495
bonds (distance) P-C4' energy: -25.779
flat angles C4'-P-C4' energy: -25.164
flat angles P-C4'-P energy: -19.146
tors. eta vs tors. theta energy: -28.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -320.746489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.746489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.746489 (E_RNA)
where:
Base-Base interactions energy: -206.973
where: short stacking energy: -98.559
Base-Backbone interact. energy: -0.806
local terms energy: -112.966997
where:
bonds (distance) C4'-P energy: -22.364
bonds (distance) P-C4' energy: -22.739
flat angles C4'-P-C4' energy: -25.702
flat angles P-C4'-P energy: -17.373
tors. eta vs tors. theta energy: -24.789
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: 3
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -295.199911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.199911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.199911 (E_RNA)
where:
Base-Base interactions energy: -187.490
where: short stacking energy: -91.052
Base-Backbone interact. energy: 0.480
local terms energy: -108.190183
where:
bonds (distance) C4'-P energy: -23.433
bonds (distance) P-C4' energy: -18.901
flat angles C4'-P-C4' energy: -21.635
flat angles P-C4'-P energy: -20.679
tors. eta vs tors. theta energy: -23.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -274.027180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.027180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.027180 (E_RNA)
where:
Base-Base interactions energy: -173.099
where: short stacking energy: -72.012
Base-Backbone interact. energy: -0.503
local terms energy: -100.425045
where:
bonds (distance) C4'-P energy: -24.203
bonds (distance) P-C4' energy: -22.983
flat angles C4'-P-C4' energy: -19.941
flat angles P-C4'-P energy: -16.116
tors. eta vs tors. theta energy: -17.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -254.654352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.654352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.654352 (E_RNA)
where:
Base-Base interactions energy: -167.296
where: short stacking energy: -63.056
Base-Backbone interact. energy: -0.317
local terms energy: -87.041037
where:
bonds (distance) C4'-P energy: -20.222
bonds (distance) P-C4' energy: -20.145
flat angles C4'-P-C4' energy: -22.911
flat angles P-C4'-P energy: -10.688
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: 7, replica: 6
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -246.675944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.675944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.675944 (E_RNA)
where:
Base-Base interactions energy: -152.491
where: short stacking energy: -80.299
Base-Backbone interact. energy: -0.057
local terms energy: -94.127914
where:
bonds (distance) C4'-P energy: -21.311
bonds (distance) P-C4' energy: -24.366
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -14.130
tors. eta vs tors. theta energy: -18.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -230.202168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.202168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.202168 (E_RNA)
where:
Base-Base interactions energy: -145.999
where: short stacking energy: -63.663
Base-Backbone interact. energy: -0.206
local terms energy: -83.997202
where:
bonds (distance) C4'-P energy: -21.949
bonds (distance) P-C4' energy: -21.143
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -12.940
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: 9, replica: 9
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -254.137101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.137101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.137101 (E_RNA)
where:
Base-Base interactions energy: -170.057
where: short stacking energy: -66.390
Base-Backbone interact. energy: -0.263
local terms energy: -83.816555
where:
bonds (distance) C4'-P energy: -18.868
bonds (distance) P-C4' energy: -17.613
flat angles C4'-P-C4' energy: -18.399
flat angles P-C4'-P energy: -10.235
tors. eta vs tors. theta energy: -18.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -115.149773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.149773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.149773 (E_RNA)
where:
Base-Base interactions energy: -46.634
where: short stacking energy: -34.997
Base-Backbone interact. energy: 0.573
local terms energy: -69.088722
where:
bonds (distance) C4'-P energy: -22.371
bonds (distance) P-C4' energy: -20.266
flat angles C4'-P-C4' energy: -8.943
flat angles P-C4'-P energy: -12.396
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: 5
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -368.726747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.726747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.726747 (E_RNA)
where:
Base-Base interactions energy: -251.559
where: short stacking energy: -113.620
Base-Backbone interact. energy: -1.243
local terms energy: -115.925026
where:
bonds (distance) C4'-P energy: -23.493
bonds (distance) P-C4' energy: -19.517
flat angles C4'-P-C4' energy: -25.434
flat angles P-C4'-P energy: -17.076
tors. eta vs tors. theta energy: -30.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -321.277297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.277297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.277297 (E_RNA)
where:
Base-Base interactions energy: -210.947
where: short stacking energy: -93.217
Base-Backbone interact. energy: -1.119
local terms energy: -109.211553
where:
bonds (distance) C4'-P energy: -25.882
bonds (distance) P-C4' energy: -24.784
flat angles C4'-P-C4' energy: -20.556
flat angles P-C4'-P energy: -14.650
tors. eta vs tors. theta energy: -23.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -316.110651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.110651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.110651 (E_RNA)
where:
Base-Base interactions energy: -213.168
where: short stacking energy: -99.399
Base-Backbone interact. energy: 1.178
local terms energy: -104.120074
where:
bonds (distance) C4'-P energy: -20.480
bonds (distance) P-C4' energy: -19.380
flat angles C4'-P-C4' energy: -20.849
flat angles P-C4'-P energy: -15.607
tors. eta vs tors. theta energy: -27.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -290.798013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.798013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.798013 (E_RNA)
where:
Base-Base interactions energy: -179.284
where: short stacking energy: -89.827
Base-Backbone interact. energy: -0.061
local terms energy: -111.452935
where:
bonds (distance) C4'-P energy: -20.284
bonds (distance) P-C4' energy: -26.386
flat angles C4'-P-C4' energy: -27.625
flat angles P-C4'-P energy: -15.639
tors. eta vs tors. theta energy: -21.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -274.107558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.107558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.107558 (E_RNA)
where:
Base-Base interactions energy: -174.692
where: short stacking energy: -81.546
Base-Backbone interact. energy: -0.082
local terms energy: -99.333716
where:
bonds (distance) C4'-P energy: -19.099
bonds (distance) P-C4' energy: -23.990
flat angles C4'-P-C4' energy: -20.206
flat angles P-C4'-P energy: -14.009
tors. eta vs tors. theta energy: -22.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -274.488312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.488312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.488312 (E_RNA)
where:
Base-Base interactions energy: -178.662
where: short stacking energy: -92.652
Base-Backbone interact. energy: -0.005
local terms energy: -95.821622
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -21.066
flat angles C4'-P-C4' energy: -21.721
flat angles P-C4'-P energy: -14.739
tors. eta vs tors. theta energy: -23.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -254.613543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.613543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.613543 (E_RNA)
where:
Base-Base interactions energy: -165.486
where: short stacking energy: -70.946
Base-Backbone interact. energy: -0.100
local terms energy: -89.027583
where:
bonds (distance) C4'-P energy: -16.754
bonds (distance) P-C4' energy: -18.755
flat angles C4'-P-C4' energy: -16.623
flat angles P-C4'-P energy: -13.795
tors. eta vs tors. theta energy: -23.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -232.671103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.671103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.671103 (E_RNA)
where:
Base-Base interactions energy: -146.221
where: short stacking energy: -74.322
Base-Backbone interact. energy: 0.488
local terms energy: -86.937668
where:
bonds (distance) C4'-P energy: -22.366
bonds (distance) P-C4' energy: -14.658
flat angles C4'-P-C4' energy: -21.898
flat angles P-C4'-P energy: -16.307
tors. eta vs tors. theta energy: -11.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -241.133425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.133425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.133425 (E_RNA)
where:
Base-Base interactions energy: -159.037
where: short stacking energy: -72.312
Base-Backbone interact. energy: -0.492
local terms energy: -81.604465
where:
bonds (distance) C4'-P energy: -13.140
bonds (distance) P-C4' energy: -18.818
flat angles C4'-P-C4' energy: -13.074
flat angles P-C4'-P energy: -17.189
tors. eta vs tors. theta energy: -19.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -111.855555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.855555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.855555 (E_RNA)
where:
Base-Base interactions energy: -41.795
where: short stacking energy: -17.393
Base-Backbone interact. energy: 0.764
local terms energy: -70.824926
where:
bonds (distance) C4'-P energy: -22.782
bonds (distance) P-C4' energy: -20.417
flat angles C4'-P-C4' energy: -12.986
flat angles P-C4'-P energy: -12.567
tors. eta vs tors. theta energy: -2.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -376.201225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.201225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.201225 (E_RNA)
where:
Base-Base interactions energy: -252.763
where: short stacking energy: -107.982
Base-Backbone interact. energy: -0.064
local terms energy: -123.374534
where:
bonds (distance) C4'-P energy: -22.743
bonds (distance) P-C4' energy: -23.925
flat angles C4'-P-C4' energy: -24.514
flat angles P-C4'-P energy: -19.088
tors. eta vs tors. theta energy: -33.104
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: 4
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -352.164390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.164390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.164390 (E_RNA)
where:
Base-Base interactions energy: -233.631
where: short stacking energy: -105.966
Base-Backbone interact. energy: -0.223
local terms energy: -118.309856
where:
bonds (distance) C4'-P energy: -22.420
bonds (distance) P-C4' energy: -22.632
flat angles C4'-P-C4' energy: -24.355
flat angles P-C4'-P energy: -16.651
tors. eta vs tors. theta energy: -32.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -320.247592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.247592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.247592 (E_RNA)
where:
Base-Base interactions energy: -215.354
where: short stacking energy: -90.112
Base-Backbone interact. energy: -0.286
local terms energy: -104.607592
where:
bonds (distance) C4'-P energy: -19.075
bonds (distance) P-C4' energy: -18.707
flat angles C4'-P-C4' energy: -25.194
flat angles P-C4'-P energy: -14.271
tors. eta vs tors. theta energy: -27.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -287.737179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.737179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.737179 (E_RNA)
where:
Base-Base interactions energy: -184.061
where: short stacking energy: -95.001
Base-Backbone interact. energy: -0.003
local terms energy: -103.673329
where:
bonds (distance) C4'-P energy: -22.058
bonds (distance) P-C4' energy: -25.090
flat angles C4'-P-C4' energy: -21.325
flat angles P-C4'-P energy: -11.828
tors. eta vs tors. theta energy: -23.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -274.451138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.451138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.451138 (E_RNA)
where:
Base-Base interactions energy: -169.174
where: short stacking energy: -76.254
Base-Backbone interact. energy: -0.361
local terms energy: -104.916327
where:
bonds (distance) C4'-P energy: -18.180
bonds (distance) P-C4' energy: -25.942
flat angles C4'-P-C4' energy: -20.904
flat angles P-C4'-P energy: -13.961
tors. eta vs tors. theta energy: -25.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -262.131805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.131805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.131805 (E_RNA)
where:
Base-Base interactions energy: -169.100
where: short stacking energy: -77.580
Base-Backbone interact. energy: 0.203
local terms energy: -93.235406
where:
bonds (distance) C4'-P energy: -14.929
bonds (distance) P-C4' energy: -21.315
flat angles C4'-P-C4' energy: -20.843
flat angles P-C4'-P energy: -17.512
tors. eta vs tors. theta energy: -18.637
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: 7
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -269.559125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.559125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.559125 (E_RNA)
where:
Base-Base interactions energy: -180.029
where: short stacking energy: -72.707
Base-Backbone interact. energy: -1.213
local terms energy: -88.317241
where:
bonds (distance) C4'-P energy: -17.312
bonds (distance) P-C4' energy: -24.198
flat angles C4'-P-C4' energy: -14.721
flat angles P-C4'-P energy: -13.454
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: 8, replica: 9
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -213.385301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.385301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.385301 (E_RNA)
where:
Base-Base interactions energy: -124.803
where: short stacking energy: -65.244
Base-Backbone interact. energy: -0.395
local terms energy: -88.187131
where:
bonds (distance) C4'-P energy: -15.342
bonds (distance) P-C4' energy: -27.061
flat angles C4'-P-C4' energy: -20.105
flat angles P-C4'-P energy: -12.084
tors. eta vs tors. theta energy: -13.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -195.525167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.525167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.525167 (E_RNA)
where:
Base-Base interactions energy: -117.213
where: short stacking energy: -47.802
Base-Backbone interact. energy: -0.800
local terms energy: -77.512641
where:
bonds (distance) C4'-P energy: -21.017
bonds (distance) P-C4' energy: -23.325
flat angles C4'-P-C4' energy: -6.452
flat angles P-C4'-P energy: -16.721
tors. eta vs tors. theta energy: -9.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -115.765840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.765840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.765840 (E_RNA)
where:
Base-Base interactions energy: -49.908
where: short stacking energy: -28.939
Base-Backbone interact. energy: 1.939
local terms energy: -67.796874
where:
bonds (distance) C4'-P energy: -18.604
bonds (distance) P-C4' energy: -23.209
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -10.434
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: 5
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -372.523365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.523365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.523365 (E_RNA)
where:
Base-Base interactions energy: -252.594
where: short stacking energy: -109.834
Base-Backbone interact. energy: -0.765
local terms energy: -119.164754
where:
bonds (distance) C4'-P energy: -22.613
bonds (distance) P-C4' energy: -24.850
flat angles C4'-P-C4' energy: -24.769
flat angles P-C4'-P energy: -15.313
tors. eta vs tors. theta energy: -31.619
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: 2, replica: 4
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -335.896249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.896249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.896249 (E_RNA)
where:
Base-Base interactions energy: -222.681
where: short stacking energy: -103.192
Base-Backbone interact. energy: -0.411
local terms energy: -112.804183
where:
bonds (distance) C4'-P energy: -20.739
bonds (distance) P-C4' energy: -24.279
flat angles C4'-P-C4' energy: -25.965
flat angles P-C4'-P energy: -15.356
tors. eta vs tors. theta energy: -26.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -338.316283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.316283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.316283 (E_RNA)
where:
Base-Base interactions energy: -225.662
where: short stacking energy: -99.909
Base-Backbone interact. energy: -0.091
local terms energy: -112.563348
where:
bonds (distance) C4'-P energy: -21.153
bonds (distance) P-C4' energy: -22.747
flat angles C4'-P-C4' energy: -24.105
flat angles P-C4'-P energy: -13.458
tors. eta vs tors. theta energy: -31.100
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: 305
Temperature: 1.050000
Total energy: -297.438610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.438610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.438610 (E_RNA)
where:
Base-Base interactions energy: -191.240
where: short stacking energy: -95.085
Base-Backbone interact. energy: -0.086
local terms energy: -106.112976
where:
bonds (distance) C4'-P energy: -18.820
bonds (distance) P-C4' energy: -20.808
flat angles C4'-P-C4' energy: -25.265
flat angles P-C4'-P energy: -16.999
tors. eta vs tors. theta energy: -24.220
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: 3
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -275.813300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.813300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.813300 (E_RNA)
where:
Base-Base interactions energy: -173.802
where: short stacking energy: -70.444
Base-Backbone interact. energy: -0.290
local terms energy: -101.721160
where:
bonds (distance) C4'-P energy: -24.931
bonds (distance) P-C4' energy: -21.319
flat angles C4'-P-C4' energy: -20.630
flat angles P-C4'-P energy: -15.168
tors. eta vs tors. theta energy: -19.673
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: 6
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -263.976535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.976535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.976535 (E_RNA)
where:
Base-Base interactions energy: -168.690
where: short stacking energy: -78.862
Base-Backbone interact. energy: 0.875
local terms energy: -96.162203
where:
bonds (distance) C4'-P energy: -17.340
bonds (distance) P-C4' energy: -23.583
flat angles C4'-P-C4' energy: -19.434
flat angles P-C4'-P energy: -17.298
tors. eta vs tors. theta energy: -18.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -249.611105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.611105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.611105 (E_RNA)
where:
Base-Base interactions energy: -162.695
where: short stacking energy: -78.737
Base-Backbone interact. energy: -0.169
local terms energy: -86.747224
where:
bonds (distance) C4'-P energy: -19.638
bonds (distance) P-C4' energy: -16.180
flat angles C4'-P-C4' energy: -20.510
flat angles P-C4'-P energy: -12.054
tors. eta vs tors. theta energy: -18.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -214.741001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.741001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.741001 (E_RNA)
where:
Base-Base interactions energy: -130.980
where: short stacking energy: -75.325
Base-Backbone interact. energy: -0.673
local terms energy: -83.087656
where:
bonds (distance) C4'-P energy: -16.317
bonds (distance) P-C4' energy: -22.222
flat angles C4'-P-C4' energy: -21.026
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: -14.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -200.265132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.265132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.265132 (E_RNA)
where:
Base-Base interactions energy: -118.396
where: short stacking energy: -54.252
Base-Backbone interact. energy: -1.445
local terms energy: -80.424253
where:
bonds (distance) C4'-P energy: -19.516
bonds (distance) P-C4' energy: -21.212
flat angles C4'-P-C4' energy: -15.682
flat angles P-C4'-P energy: -10.123
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: 10, replica: 2
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -106.955023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.955023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.955023 (E_RNA)
where:
Base-Base interactions energy: -40.305
where: short stacking energy: -37.848
Base-Backbone interact. energy: -2.180
local terms energy: -64.470228
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -18.505
flat angles C4'-P-C4' energy: -21.893
flat angles P-C4'-P energy: -14.593
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: 1, replica: 5
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -370.699239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.699239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.699239 (E_RNA)
where:
Base-Base interactions energy: -245.988
where: short stacking energy: -110.527
Base-Backbone interact. energy: -0.938
local terms energy: -123.773840
where:
bonds (distance) C4'-P energy: -20.602
bonds (distance) P-C4' energy: -25.156
flat angles C4'-P-C4' energy: -26.619
flat angles P-C4'-P energy: -16.276
tors. eta vs tors. theta energy: -35.121
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: 4
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -345.843242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.843242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.843242 (E_RNA)
where:
Base-Base interactions energy: -226.493
where: short stacking energy: -99.159
Base-Backbone interact. energy: -0.312
local terms energy: -119.038262
where:
bonds (distance) C4'-P energy: -24.695
bonds (distance) P-C4' energy: -20.747
flat angles C4'-P-C4' energy: -23.663
flat angles P-C4'-P energy: -17.047
tors. eta vs tors. theta energy: -32.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -336.360912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.360912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.360912 (E_RNA)
where:
Base-Base interactions energy: -224.963
where: short stacking energy: -87.225
Base-Backbone interact. energy: -1.131
local terms energy: -110.266588
where:
bonds (distance) C4'-P energy: -20.847
bonds (distance) P-C4' energy: -24.593
flat angles C4'-P-C4' energy: -27.367
flat angles P-C4'-P energy: -13.888
tors. eta vs tors. theta energy: -23.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -295.887102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.887102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.887102 (E_RNA)
where:
Base-Base interactions energy: -194.373
where: short stacking energy: -84.228
Base-Backbone interact. energy: -0.138
local terms energy: -101.375672
where:
bonds (distance) C4'-P energy: -19.992
bonds (distance) P-C4' energy: -22.344
flat angles C4'-P-C4' energy: -20.977
flat angles P-C4'-P energy: -16.352
tors. eta vs tors. theta energy: -21.711
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: 6
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -273.957932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.957932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.957932 (E_RNA)
where:
Base-Base interactions energy: -173.296
where: short stacking energy: -88.676
Base-Backbone interact. energy: 0.055
local terms energy: -100.717165
where:
bonds (distance) C4'-P energy: -23.076
bonds (distance) P-C4' energy: -23.103
flat angles C4'-P-C4' energy: -17.199
flat angles P-C4'-P energy: -15.327
tors. eta vs tors. theta energy: -22.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -265.729387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.729387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.729387 (E_RNA)
where:
Base-Base interactions energy: -176.452
where: short stacking energy: -87.048
Base-Backbone interact. energy: -0.155
local terms energy: -89.122533
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -13.149
flat angles C4'-P-C4' energy: -23.867
flat angles P-C4'-P energy: -15.513
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: 7, replica: 7
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -258.182734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.182734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.182734 (E_RNA)
where:
Base-Base interactions energy: -158.881
where: short stacking energy: -80.174
Base-Backbone interact. energy: -0.028
local terms energy: -99.273621
where:
bonds (distance) C4'-P energy: -22.443
bonds (distance) P-C4' energy: -20.946
flat angles C4'-P-C4' energy: -25.070
flat angles P-C4'-P energy: -11.894
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: 8, replica: 10
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -212.333061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.333061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.333061 (E_RNA)
where:
Base-Base interactions energy: -127.562
where: short stacking energy: -68.652
Base-Backbone interact. energy: -0.263
local terms energy: -84.507944
where:
bonds (distance) C4'-P energy: -22.972
bonds (distance) P-C4' energy: -15.179
flat angles C4'-P-C4' energy: -19.017
flat angles P-C4'-P energy: -13.575
tors. eta vs tors. theta energy: -13.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -205.809608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.809608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.809608 (E_RNA)
where:
Base-Base interactions energy: -132.554
where: short stacking energy: -48.995
Base-Backbone interact. energy: -0.313
local terms energy: -72.943315
where:
bonds (distance) C4'-P energy: -17.667
bonds (distance) P-C4' energy: -18.658
flat angles C4'-P-C4' energy: -15.229
flat angles P-C4'-P energy: -11.504
tors. eta vs tors. theta energy: -9.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -115.797424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.797424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.797424 (E_RNA)
where:
Base-Base interactions energy: -50.664
where: short stacking energy: -39.190
Base-Backbone interact. energy: 0.019
local terms energy: -65.153244
where:
bonds (distance) C4'-P energy: -19.583
bonds (distance) P-C4' energy: -17.829
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: -1.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -371.288510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.288510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.288510 (E_RNA)
where:
Base-Base interactions energy: -245.218
where: short stacking energy: -109.579
Base-Backbone interact. energy: -0.057
local terms energy: -126.013751
where:
bonds (distance) C4'-P energy: -24.077
bonds (distance) P-C4' energy: -25.731
flat angles C4'-P-C4' energy: -24.445
flat angles P-C4'-P energy: -18.426
tors. eta vs tors. theta energy: -33.335
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: 4
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -351.304679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.304679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.304679 (E_RNA)
where:
Base-Base interactions energy: -243.387
where: short stacking energy: -106.827
Base-Backbone interact. energy: -0.119
local terms energy: -107.799256
where:
bonds (distance) C4'-P energy: -20.708
bonds (distance) P-C4' energy: -17.674
flat angles C4'-P-C4' energy: -18.536
flat angles P-C4'-P energy: -17.167
tors. eta vs tors. theta energy: -33.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -332.583113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.583113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.583113 (E_RNA)
where:
Base-Base interactions energy: -218.039
where: short stacking energy: -95.880
Base-Backbone interact. energy: -1.450
local terms energy: -113.093755
where:
bonds (distance) C4'-P energy: -24.643
bonds (distance) P-C4' energy: -22.691
flat angles C4'-P-C4' energy: -24.701
flat angles P-C4'-P energy: -15.348
tors. eta vs tors. theta energy: -25.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -295.688440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.688440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.688440 (E_RNA)
where:
Base-Base interactions energy: -189.898
where: short stacking energy: -87.548
Base-Backbone interact. energy: 1.065
local terms energy: -106.855742
where:
bonds (distance) C4'-P energy: -20.839
bonds (distance) P-C4' energy: -23.659
flat angles C4'-P-C4' energy: -24.496
flat angles P-C4'-P energy: -12.852
tors. eta vs tors. theta energy: -25.010
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: 307
Temperature: 1.100000
Total energy: -276.981520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.981520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.981520 (E_RNA)
where:
Base-Base interactions energy: -189.334
where: short stacking energy: -88.694
Base-Backbone interact. energy: -0.059
local terms energy: -87.588757
where:
bonds (distance) C4'-P energy: -22.810
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -16.653
flat angles P-C4'-P energy: -13.170
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: 6, replica: 3
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -253.848204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.848204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.848204 (E_RNA)
where:
Base-Base interactions energy: -159.121
where: short stacking energy: -71.559
Base-Backbone interact. energy: -1.409
local terms energy: -93.318184
where:
bonds (distance) C4'-P energy: -14.092
bonds (distance) P-C4' energy: -20.637
flat angles C4'-P-C4' energy: -22.727
flat angles P-C4'-P energy: -16.898
tors. eta vs tors. theta energy: -18.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -257.010832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.010832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.010832 (E_RNA)
where:
Base-Base interactions energy: -157.746
where: short stacking energy: -69.945
Base-Backbone interact. energy: -0.107
local terms energy: -99.158454
where:
bonds (distance) C4'-P energy: -21.811
bonds (distance) P-C4' energy: -25.716
flat angles C4'-P-C4' energy: -19.411
flat angles P-C4'-P energy: -13.194
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: 8, replica: 9
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -247.735621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.735621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.735621 (E_RNA)
where:
Base-Base interactions energy: -164.489
where: short stacking energy: -78.187
Base-Backbone interact. energy: -0.260
local terms energy: -82.987427
where:
bonds (distance) C4'-P energy: -17.722
bonds (distance) P-C4' energy: -22.267
flat angles C4'-P-C4' energy: -18.098
flat angles P-C4'-P energy: -11.218
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: 9, replica: 10
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -206.802965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.802965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.802965 (E_RNA)
where:
Base-Base interactions energy: -113.744
where: short stacking energy: -56.176
Base-Backbone interact. energy: -0.159
local terms energy: -92.899306
where:
bonds (distance) C4'-P energy: -19.282
bonds (distance) P-C4' energy: -15.370
flat angles C4'-P-C4' energy: -23.118
flat angles P-C4'-P energy: -17.296
tors. eta vs tors. theta energy: -17.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -115.750765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.750765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.750765 (E_RNA)
where:
Base-Base interactions energy: -38.150
where: short stacking energy: -37.908
Base-Backbone interact. energy: -0.030
local terms energy: -77.570976
where:
bonds (distance) C4'-P energy: -14.932
bonds (distance) P-C4' energy: -27.739
flat angles C4'-P-C4' energy: -17.296
flat angles P-C4'-P energy: -7.126
tors. eta vs tors. theta energy: -10.477
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: 1, replica: 5
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -371.421285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.421285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.421285 (E_RNA)
where:
Base-Base interactions energy: -250.556
where: short stacking energy: -111.939
Base-Backbone interact. energy: -0.015
local terms energy: -120.850347
where:
bonds (distance) C4'-P energy: -24.102
bonds (distance) P-C4' energy: -23.312
flat angles C4'-P-C4' energy: -24.122
flat angles P-C4'-P energy: -14.168
tors. eta vs tors. theta energy: -35.146
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: 4
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -352.088850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.088850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.088850 (E_RNA)
where:
Base-Base interactions energy: -230.508
where: short stacking energy: -112.139
Base-Backbone interact. energy: -0.593
local terms energy: -120.987537
where:
bonds (distance) C4'-P energy: -22.360
bonds (distance) P-C4' energy: -24.109
flat angles C4'-P-C4' energy: -23.375
flat angles P-C4'-P energy: -17.102
tors. eta vs tors. theta energy: -34.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -335.992724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.992724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.992724 (E_RNA)
where:
Base-Base interactions energy: -225.571
where: short stacking energy: -100.293
Base-Backbone interact. energy: -2.128
local terms energy: -108.293925
where:
bonds (distance) C4'-P energy: -18.802
bonds (distance) P-C4' energy: -21.668
flat angles C4'-P-C4' energy: -21.154
flat angles P-C4'-P energy: -14.879
tors. eta vs tors. theta energy: -31.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -290.015615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.015615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.015615 (E_RNA)
where:
Base-Base interactions energy: -189.792
where: short stacking energy: -90.440
Base-Backbone interact. energy: -0.143
local terms energy: -100.080988
where:
bonds (distance) C4'-P energy: -23.228
bonds (distance) P-C4' energy: -21.515
flat angles C4'-P-C4' energy: -20.303
flat angles P-C4'-P energy: -8.549
tors. eta vs tors. theta energy: -26.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -280.023554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.023554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.023554 (E_RNA)
where:
Base-Base interactions energy: -178.027
where: short stacking energy: -80.770
Base-Backbone interact. energy: -0.069
local terms energy: -101.927955
where:
bonds (distance) C4'-P energy: -20.144
bonds (distance) P-C4' energy: -26.335
flat angles C4'-P-C4' energy: -20.096
flat angles P-C4'-P energy: -15.660
tors. eta vs tors. theta energy: -19.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -262.654869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.654869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.654869 (E_RNA)
where:
Base-Base interactions energy: -160.020
where: short stacking energy: -78.491
Base-Backbone interact. energy: -0.327
local terms energy: -102.307264
where:
bonds (distance) C4'-P energy: -20.555
bonds (distance) P-C4' energy: -21.759
flat angles C4'-P-C4' energy: -23.284
flat angles P-C4'-P energy: -16.112
tors. eta vs tors. theta energy: -20.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -257.244820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.244820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.244820 (E_RNA)
where:
Base-Base interactions energy: -158.369
where: short stacking energy: -75.507
Base-Backbone interact. energy: 0.385
local terms energy: -99.260865
where:
bonds (distance) C4'-P energy: -19.854
bonds (distance) P-C4' energy: -21.931
flat angles C4'-P-C4' energy: -25.541
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: -20.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -266.977534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.977534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.977534 (E_RNA)
where:
Base-Base interactions energy: -175.419
where: short stacking energy: -78.372
Base-Backbone interact. energy: -0.007
local terms energy: -91.551033
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -22.897
flat angles P-C4'-P energy: -14.030
tors. eta vs tors. theta energy: -22.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -123.668416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.668416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.668416 (E_RNA)
where:
Base-Base interactions energy: -43.497
where: short stacking energy: -30.965
Base-Backbone interact. energy: -0.212
local terms energy: -79.958820
where:
bonds (distance) C4'-P energy: -17.291
bonds (distance) P-C4' energy: -25.512
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: -11.792
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: 308
Temperature: 1.350000
Total energy: -201.050678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.050678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.050678 (E_RNA)
where:
Base-Base interactions energy: -114.953
where: short stacking energy: -48.991
Base-Backbone interact. energy: 0.498
local terms energy: -86.596363
where:
bonds (distance) C4'-P energy: -19.429
bonds (distance) P-C4' energy: -24.851
flat angles C4'-P-C4' energy: -22.881
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: -7.535
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: 309
Temperature: 0.900000
Total energy: -378.816231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.816231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.816231 (E_RNA)
where:
Base-Base interactions energy: -248.836
where: short stacking energy: -111.303
Base-Backbone interact. energy: -0.538
local terms energy: -129.442438
where:
bonds (distance) C4'-P energy: -25.107
bonds (distance) P-C4' energy: -25.314
flat angles C4'-P-C4' energy: -26.178
flat angles P-C4'-P energy: -18.812
tors. eta vs tors. theta energy: -34.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -350.551646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.551646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.551646 (E_RNA)
where:
Base-Base interactions energy: -237.433
where: short stacking energy: -99.651
Base-Backbone interact. energy: -0.188
local terms energy: -112.930346
where:
bonds (distance) C4'-P energy: -21.308
bonds (distance) P-C4' energy: -21.380
flat angles C4'-P-C4' energy: -21.611
flat angles P-C4'-P energy: -17.017
tors. eta vs tors. theta energy: -31.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -339.518798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.518798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.518798 (E_RNA)
where:
Base-Base interactions energy: -222.727
where: short stacking energy: -98.260
Base-Backbone interact. energy: -0.140
local terms energy: -116.651858
where:
bonds (distance) C4'-P energy: -23.100
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -25.198
flat angles P-C4'-P energy: -20.801
tors. eta vs tors. theta energy: -31.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -284.211629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.211629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.211629 (E_RNA)
where:
Base-Base interactions energy: -195.523
where: short stacking energy: -85.001
Base-Backbone interact. energy: -0.079
local terms energy: -88.609615
where:
bonds (distance) C4'-P energy: -20.430
bonds (distance) P-C4' energy: -20.331
flat angles C4'-P-C4' energy: -18.379
flat angles P-C4'-P energy: -5.948
tors. eta vs tors. theta energy: -23.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -287.298963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.298963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.298963 (E_RNA)
where:
Base-Base interactions energy: -182.594
where: short stacking energy: -91.940
Base-Backbone interact. energy: -0.613
local terms energy: -104.092632
where:
bonds (distance) C4'-P energy: -22.660
bonds (distance) P-C4' energy: -23.851
flat angles C4'-P-C4' energy: -21.451
flat angles P-C4'-P energy: -9.576
tors. eta vs tors. theta energy: -26.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -269.065375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.065375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.065375 (E_RNA)
where:
Base-Base interactions energy: -165.616
where: short stacking energy: -85.670
Base-Backbone interact. energy: -0.451
local terms energy: -102.999206
where:
bonds (distance) C4'-P energy: -21.102
bonds (distance) P-C4' energy: -18.937
flat angles C4'-P-C4' energy: -21.432
flat angles P-C4'-P energy: -18.701
tors. eta vs tors. theta energy: -22.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -255.678461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.678461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.678461 (E_RNA)
where:
Base-Base interactions energy: -163.565
where: short stacking energy: -69.930
Base-Backbone interact. energy: -0.275
local terms energy: -91.838753
where:
bonds (distance) C4'-P energy: -22.503
bonds (distance) P-C4' energy: -20.699
flat angles C4'-P-C4' energy: -23.484
flat angles P-C4'-P energy: -10.610
tors. eta vs tors. theta energy: -14.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -248.871203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.871203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.871203 (E_RNA)
where:
Base-Base interactions energy: -172.985
where: short stacking energy: -77.743
Base-Backbone interact. energy: 0.054
local terms energy: -75.939525
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -19.019
flat angles C4'-P-C4' energy: -14.008
flat angles P-C4'-P energy: -10.463
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: 9, replica: 2
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -124.879018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.879018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.879018 (E_RNA)
where:
Base-Base interactions energy: -48.969
where: short stacking energy: -35.135
Base-Backbone interact. energy: 0.184
local terms energy: -76.093594
where:
bonds (distance) C4'-P energy: -17.825
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -19.625
flat angles P-C4'-P energy: -17.172
tors. eta vs tors. theta energy: -4.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -197.310463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.310463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.310463 (E_RNA)
where:
Base-Base interactions energy: -112.315
where: short stacking energy: -46.049
Base-Backbone interact. energy: -0.228
local terms energy: -84.767127
where:
bonds (distance) C4'-P energy: -23.651
bonds (distance) P-C4' energy: -22.915
flat angles C4'-P-C4' energy: -18.959
flat angles P-C4'-P energy: -13.318
tors. eta vs tors. theta energy: -5.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -373.269111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.269111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.269111 (E_RNA)
where:
Base-Base interactions energy: -252.430
where: short stacking energy: -104.360
Base-Backbone interact. energy: 0.441
local terms energy: -121.279469
where:
bonds (distance) C4'-P energy: -20.352
bonds (distance) P-C4' energy: -27.731
flat angles C4'-P-C4' energy: -26.411
flat angles P-C4'-P energy: -15.497
tors. eta vs tors. theta energy: -31.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -354.373344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.373344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.373344 (E_RNA)
where:
Base-Base interactions energy: -233.579
where: short stacking energy: -117.318
Base-Backbone interact. energy: -2.135
local terms energy: -118.658663
where:
bonds (distance) C4'-P energy: -20.401
bonds (distance) P-C4' energy: -21.697
flat angles C4'-P-C4' energy: -24.254
flat angles P-C4'-P energy: -16.323
tors. eta vs tors. theta energy: -35.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -327.830965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.830965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.830965 (E_RNA)
where:
Base-Base interactions energy: -221.068
where: short stacking energy: -95.085
Base-Backbone interact. energy: -0.273
local terms energy: -106.490045
where:
bonds (distance) C4'-P energy: -22.964
bonds (distance) P-C4' energy: -19.324
flat angles C4'-P-C4' energy: -25.205
flat angles P-C4'-P energy: -11.678
tors. eta vs tors. theta energy: -27.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -296.214783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.214783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.214783 (E_RNA)
where:
Base-Base interactions energy: -192.895
where: short stacking energy: -94.278
Base-Backbone interact. energy: -0.253
local terms energy: -103.066555
where:
bonds (distance) C4'-P energy: -16.178
bonds (distance) P-C4' energy: -20.817
flat angles C4'-P-C4' energy: -20.956
flat angles P-C4'-P energy: -16.193
tors. eta vs tors. theta energy: -28.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -273.104538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.104538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.104538 (E_RNA)
where:
Base-Base interactions energy: -187.450
where: short stacking energy: -84.098
Base-Backbone interact. energy: -0.262
local terms energy: -85.392298
where:
bonds (distance) C4'-P energy: -20.261
bonds (distance) P-C4' energy: -15.746
flat angles C4'-P-C4' energy: -18.429
flat angles P-C4'-P energy: -13.827
tors. eta vs tors. theta energy: -17.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -267.681135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.681135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.681135 (E_RNA)
where:
Base-Base interactions energy: -158.547
where: short stacking energy: -75.438
Base-Backbone interact. energy: -0.085
local terms energy: -109.048447
where:
bonds (distance) C4'-P energy: -22.826
bonds (distance) P-C4' energy: -24.898
flat angles C4'-P-C4' energy: -21.233
flat angles P-C4'-P energy: -19.056
tors. eta vs tors. theta energy: -21.037
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: 9
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -271.330760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.330760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.330760 (E_RNA)
where:
Base-Base interactions energy: -179.852
where: short stacking energy: -67.562
Base-Backbone interact. energy: -0.830
local terms energy: -90.649208
where:
bonds (distance) C4'-P energy: -19.412
bonds (distance) P-C4' energy: -17.024
flat angles C4'-P-C4' energy: -17.652
flat angles P-C4'-P energy: -13.150
tors. eta vs tors. theta energy: -23.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -233.706397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.706397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.706397 (E_RNA)
where:
Base-Base interactions energy: -150.599
where: short stacking energy: -61.278
Base-Backbone interact. energy: -0.211
local terms energy: -82.895985
where:
bonds (distance) C4'-P energy: -17.933
bonds (distance) P-C4' energy: -21.808
flat angles C4'-P-C4' energy: -16.853
flat angles P-C4'-P energy: -15.248
tors. eta vs tors. theta energy: -11.054
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: 10
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -213.828154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.828154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.828154 (E_RNA)
where:
Base-Base interactions energy: -128.324
where: short stacking energy: -62.713
Base-Backbone interact. energy: -0.105
local terms energy: -85.399108
where:
bonds (distance) C4'-P energy: -22.980
bonds (distance) P-C4' energy: -20.574
flat angles C4'-P-C4' energy: -18.328
flat angles P-C4'-P energy: -11.699
tors. eta vs tors. theta energy: -11.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -126.435015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.435015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.435015 (E_RNA)
where:
Base-Base interactions energy: -64.069
where: short stacking energy: -28.531
Base-Backbone interact. energy: 0.948
local terms energy: -63.314117
where:
bonds (distance) C4'-P energy: -15.698
bonds (distance) P-C4' energy: -17.998
flat angles C4'-P-C4' energy: -22.761
flat angles P-C4'-P energy: -10.651
tors. eta vs tors. theta energy: 3.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -376.231186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.231186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.231186 (E_RNA)
where:
Base-Base interactions energy: -248.552
where: short stacking energy: -102.323
Base-Backbone interact. energy: -0.036
local terms energy: -127.643612
where:
bonds (distance) C4'-P energy: -25.765
bonds (distance) P-C4' energy: -25.353
flat angles C4'-P-C4' energy: -24.926
flat angles P-C4'-P energy: -20.352
tors. eta vs tors. theta energy: -31.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -337.684182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.684182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.684182 (E_RNA)
where:
Base-Base interactions energy: -236.318
where: short stacking energy: -91.980
Base-Backbone interact. energy: -0.599
local terms energy: -100.767409
where:
bonds (distance) C4'-P energy: -20.290
bonds (distance) P-C4' energy: -21.163
flat angles C4'-P-C4' energy: -20.314
flat angles P-C4'-P energy: -19.981
tors. eta vs tors. theta energy: -19.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -338.781740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.781740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.781740 (E_RNA)
where:
Base-Base interactions energy: -226.572
where: short stacking energy: -99.658
Base-Backbone interact. energy: -0.583
local terms energy: -111.626442
where:
bonds (distance) C4'-P energy: -23.023
bonds (distance) P-C4' energy: -20.701
flat angles C4'-P-C4' energy: -23.378
flat angles P-C4'-P energy: -14.460
tors. eta vs tors. theta energy: -30.064
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: 311
Temperature: 1.050000
Total energy: -277.752969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.752969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.752969 (E_RNA)
where:
Base-Base interactions energy: -174.430
where: short stacking energy: -88.590
Base-Backbone interact. energy: 1.034
local terms energy: -104.356975
where:
bonds (distance) C4'-P energy: -21.062
bonds (distance) P-C4' energy: -24.944
flat angles C4'-P-C4' energy: -20.319
flat angles P-C4'-P energy: -13.526
tors. eta vs tors. theta energy: -24.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -295.764025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.764025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.764025 (E_RNA)
where:
Base-Base interactions energy: -195.948
where: short stacking energy: -81.799
Base-Backbone interact. energy: -0.241
local terms energy: -99.574916
where:
bonds (distance) C4'-P energy: -20.910
bonds (distance) P-C4' energy: -26.158
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -15.246
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: 6, replica: 3
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -272.036142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.036142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.036142 (E_RNA)
where:
Base-Base interactions energy: -174.133
where: short stacking energy: -80.967
Base-Backbone interact. energy: 1.768
local terms energy: -99.671726
where:
bonds (distance) C4'-P energy: -22.575
bonds (distance) P-C4' energy: -24.408
flat angles C4'-P-C4' energy: -18.200
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -23.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -276.814492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.814492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.814492 (E_RNA)
where:
Base-Base interactions energy: -189.087
where: short stacking energy: -80.939
Base-Backbone interact. energy: -1.555
local terms energy: -86.172335
where:
bonds (distance) C4'-P energy: -21.246
bonds (distance) P-C4' energy: -18.076
flat angles C4'-P-C4' energy: -13.789
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -22.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -230.385817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.385817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.385817 (E_RNA)
where:
Base-Base interactions energy: -152.808
where: short stacking energy: -70.951
Base-Backbone interact. energy: 0.036
local terms energy: -77.613699
where:
bonds (distance) C4'-P energy: -21.709
bonds (distance) P-C4' energy: -14.246
flat angles C4'-P-C4' energy: -17.868
flat angles P-C4'-P energy: -13.358
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: 9, replica: 10
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -201.572966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.572966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.572966 (E_RNA)
where:
Base-Base interactions energy: -126.365
where: short stacking energy: -63.246
Base-Backbone interact. energy: -1.807
local terms energy: -73.400486
where:
bonds (distance) C4'-P energy: -17.897
bonds (distance) P-C4' energy: -18.093
flat angles C4'-P-C4' energy: -18.877
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -8.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -125.429440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.429440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.429440 (E_RNA)
where:
Base-Base interactions energy: -58.967
where: short stacking energy: -39.270
Base-Backbone interact. energy: -0.711
local terms energy: -65.751368
where:
bonds (distance) C4'-P energy: -22.526
bonds (distance) P-C4' energy: -17.640
flat angles C4'-P-C4' energy: -19.590
flat angles P-C4'-P energy: -3.647
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: 1, replica: 5
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -374.282725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.282725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.282725 (E_RNA)
where:
Base-Base interactions energy: -246.733
where: short stacking energy: -116.157
Base-Backbone interact. energy: 0.132
local terms energy: -127.681607
where:
bonds (distance) C4'-P energy: -23.240
bonds (distance) P-C4' energy: -26.918
flat angles C4'-P-C4' energy: -25.059
flat angles P-C4'-P energy: -17.023
tors. eta vs tors. theta energy: -35.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -328.949181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.949181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.949181 (E_RNA)
where:
Base-Base interactions energy: -212.177
where: short stacking energy: -92.853
Base-Backbone interact. energy: -0.118
local terms energy: -116.654008
where:
bonds (distance) C4'-P energy: -22.711
bonds (distance) P-C4' energy: -26.201
flat angles C4'-P-C4' energy: -23.307
flat angles P-C4'-P energy: -18.331
tors. eta vs tors. theta energy: -26.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -333.510647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.510647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.510647 (E_RNA)
where:
Base-Base interactions energy: -226.294
where: short stacking energy: -88.175
Base-Backbone interact. energy: -0.898
local terms energy: -106.318665
where:
bonds (distance) C4'-P energy: -19.105
bonds (distance) P-C4' energy: -25.673
flat angles C4'-P-C4' energy: -17.841
flat angles P-C4'-P energy: -17.250
tors. eta vs tors. theta energy: -26.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -278.618998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.618998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.618998 (E_RNA)
where:
Base-Base interactions energy: -177.001
where: short stacking energy: -85.914
Base-Backbone interact. energy: -0.232
local terms energy: -101.386002
where:
bonds (distance) C4'-P energy: -22.801
bonds (distance) P-C4' energy: -20.027
flat angles C4'-P-C4' energy: -22.972
flat angles P-C4'-P energy: -14.800
tors. eta vs tors. theta energy: -20.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -278.174828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.174828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.174828 (E_RNA)
where:
Base-Base interactions energy: -177.377
where: short stacking energy: -67.373
Base-Backbone interact. energy: -0.227
local terms energy: -100.571562
where:
bonds (distance) C4'-P energy: -17.640
bonds (distance) P-C4' energy: -22.817
flat angles C4'-P-C4' energy: -25.963
flat angles P-C4'-P energy: -19.334
tors. eta vs tors. theta energy: -14.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -267.554501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.554501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.554501 (E_RNA)
where:
Base-Base interactions energy: -169.721
where: short stacking energy: -75.274
Base-Backbone interact. energy: -0.493
local terms energy: -97.341091
where:
bonds (distance) C4'-P energy: -21.064
bonds (distance) P-C4' energy: -22.559
flat angles C4'-P-C4' energy: -22.891
flat angles P-C4'-P energy: -13.825
tors. eta vs tors. theta energy: -17.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -257.561529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.561529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.561529 (E_RNA)
where:
Base-Base interactions energy: -163.894
where: short stacking energy: -78.551
Base-Backbone interact. energy: 1.378
local terms energy: -95.044913
where:
bonds (distance) C4'-P energy: -18.270
bonds (distance) P-C4' energy: -24.376
flat angles C4'-P-C4' energy: -23.911
flat angles P-C4'-P energy: -7.560
tors. eta vs tors. theta energy: -20.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -259.883902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.883902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.883902 (E_RNA)
where:
Base-Base interactions energy: -164.942
where: short stacking energy: -81.246
Base-Backbone interact. energy: -0.549
local terms energy: -94.393160
where:
bonds (distance) C4'-P energy: -20.284
bonds (distance) P-C4' energy: -24.871
flat angles C4'-P-C4' energy: -23.298
flat angles P-C4'-P energy: -4.258
tors. eta vs tors. theta energy: -21.682
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: 10
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -252.381090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.381090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.381090 (E_RNA)
where:
Base-Base interactions energy: -159.522
where: short stacking energy: -62.261
Base-Backbone interact. energy: -0.421
local terms energy: -92.437996
where:
bonds (distance) C4'-P energy: -19.317
bonds (distance) P-C4' energy: -22.547
flat angles C4'-P-C4' energy: -17.930
flat angles P-C4'-P energy: -14.089
tors. eta vs tors. theta energy: -18.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -117.663047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.663047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.663047 (E_RNA)
where:
Base-Base interactions energy: -51.329
where: short stacking energy: -23.078
Base-Backbone interact. energy: 0.553
local terms energy: -66.886582
where:
bonds (distance) C4'-P energy: -22.203
bonds (distance) P-C4' energy: -25.445
flat angles C4'-P-C4' energy: -12.529
flat angles P-C4'-P energy: -7.423
tors. eta vs tors. theta energy: 0.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -372.202220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.202220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.202220 (E_RNA)
where:
Base-Base interactions energy: -256.975
where: short stacking energy: -110.081
Base-Backbone interact. energy: -0.589
local terms energy: -114.638692
where:
bonds (distance) C4'-P energy: -21.447
bonds (distance) P-C4' energy: -21.892
flat angles C4'-P-C4' energy: -22.848
flat angles P-C4'-P energy: -13.100
tors. eta vs tors. theta energy: -35.352
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: 1
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -351.620889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.620889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.620889 (E_RNA)
where:
Base-Base interactions energy: -229.099
where: short stacking energy: -111.130
Base-Backbone interact. energy: -0.299
local terms energy: -122.222968
where:
bonds (distance) C4'-P energy: -22.231
bonds (distance) P-C4' energy: -20.688
flat angles C4'-P-C4' energy: -25.931
flat angles P-C4'-P energy: -17.523
tors. eta vs tors. theta energy: -35.850
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: 3, replica: 4
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -318.102603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.102603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.102603 (E_RNA)
where:
Base-Base interactions energy: -208.546
where: short stacking energy: -96.081
Base-Backbone interact. energy: 0.643
local terms energy: -110.199624
where:
bonds (distance) C4'-P energy: -22.200
bonds (distance) P-C4' energy: -21.574
flat angles C4'-P-C4' energy: -21.649
flat angles P-C4'-P energy: -17.425
tors. eta vs tors. theta energy: -27.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -290.131921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.131921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.131921 (E_RNA)
where:
Base-Base interactions energy: -186.670
where: short stacking energy: -88.443
Base-Backbone interact. energy: -0.124
local terms energy: -103.337876
where:
bonds (distance) C4'-P energy: -23.709
bonds (distance) P-C4' energy: -21.223
flat angles C4'-P-C4' energy: -22.106
flat angles P-C4'-P energy: -17.374
tors. eta vs tors. theta energy: -18.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -276.149829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.149829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.149829 (E_RNA)
where:
Base-Base interactions energy: -183.200
where: short stacking energy: -87.890
Base-Backbone interact. energy: -0.332
local terms energy: -92.618131
where:
bonds (distance) C4'-P energy: -22.226
bonds (distance) P-C4' energy: -18.534
flat angles C4'-P-C4' energy: -18.061
flat angles P-C4'-P energy: -11.144
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: 6, replica: 7
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -252.127149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.127149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.127149 (E_RNA)
where:
Base-Base interactions energy: -158.313
where: short stacking energy: -81.640
Base-Backbone interact. energy: -0.250
local terms energy: -93.564798
where:
bonds (distance) C4'-P energy: -12.020
bonds (distance) P-C4' energy: -19.740
flat angles C4'-P-C4' energy: -21.896
flat angles P-C4'-P energy: -17.886
tors. eta vs tors. theta energy: -22.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -258.395135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.395135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.395135 (E_RNA)
where:
Base-Base interactions energy: -165.258
where: short stacking energy: -68.030
Base-Backbone interact. energy: 0.063
local terms energy: -93.200293
where:
bonds (distance) C4'-P energy: -23.796
bonds (distance) P-C4' energy: -21.914
flat angles C4'-P-C4' energy: -15.255
flat angles P-C4'-P energy: -14.961
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: 8, replica: 10
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -229.525407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.525407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.525407 (E_RNA)
where:
Base-Base interactions energy: -147.040
where: short stacking energy: -66.611
Base-Backbone interact. energy: 0.941
local terms energy: -83.425948
where:
bonds (distance) C4'-P energy: -20.268
bonds (distance) P-C4' energy: -23.118
flat angles C4'-P-C4' energy: -18.892
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: -11.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -211.091823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.091823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.091823 (E_RNA)
where:
Base-Base interactions energy: -127.443
where: short stacking energy: -57.130
Base-Backbone interact. energy: -0.626
local terms energy: -83.022268
where:
bonds (distance) C4'-P energy: -22.622
bonds (distance) P-C4' energy: -17.286
flat angles C4'-P-C4' energy: -21.311
flat angles P-C4'-P energy: -9.601
tors. eta vs tors. theta energy: -12.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -109.001738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.001738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.001738 (E_RNA)
where:
Base-Base interactions energy: -41.254
where: short stacking energy: -41.254
Base-Backbone interact. energy: -0.468
local terms energy: -67.279814
where:
bonds (distance) C4'-P energy: -16.608
bonds (distance) P-C4' energy: -20.591
flat angles C4'-P-C4' energy: -16.027
flat angles P-C4'-P energy: -7.843
tors. eta vs tors. theta energy: -6.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -369.606504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.606504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.606504 (E_RNA)
where:
Base-Base interactions energy: -251.169
where: short stacking energy: -118.022
Base-Backbone interact. energy: -0.021
local terms energy: -118.416251
where:
bonds (distance) C4'-P energy: -21.838
bonds (distance) P-C4' energy: -23.439
flat angles C4'-P-C4' energy: -23.577
flat angles P-C4'-P energy: -15.756
tors. eta vs tors. theta energy: -33.806
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: 2, replica: 1
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -347.732281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.732281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.732281 (E_RNA)
where:
Base-Base interactions energy: -242.183
where: short stacking energy: -101.707
Base-Backbone interact. energy: -0.828
local terms energy: -104.720702
where:
bonds (distance) C4'-P energy: -22.276
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -24.138
flat angles P-C4'-P energy: -13.819
tors. eta vs tors. theta energy: -29.565
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: 4
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -317.061490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.061490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.061490 (E_RNA)
where:
Base-Base interactions energy: -211.646
where: short stacking energy: -91.112
Base-Backbone interact. energy: -0.165
local terms energy: -105.250946
where:
bonds (distance) C4'-P energy: -20.670
bonds (distance) P-C4' energy: -25.795
flat angles C4'-P-C4' energy: -23.913
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -24.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -276.212700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.212700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.212700 (E_RNA)
where:
Base-Base interactions energy: -173.263
where: short stacking energy: -73.263
Base-Backbone interact. energy: -0.043
local terms energy: -102.906915
where:
bonds (distance) C4'-P energy: -21.721
bonds (distance) P-C4' energy: -25.694
flat angles C4'-P-C4' energy: -23.007
flat angles P-C4'-P energy: -15.247
tors. eta vs tors. theta energy: -17.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -277.273645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.273645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.273645 (E_RNA)
where:
Base-Base interactions energy: -185.184
where: short stacking energy: -88.166
Base-Backbone interact. energy: 2.333
local terms energy: -94.421790
where:
bonds (distance) C4'-P energy: -18.277
bonds (distance) P-C4' energy: -19.119
flat angles C4'-P-C4' energy: -22.016
flat angles P-C4'-P energy: -16.977
tors. eta vs tors. theta energy: -18.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -250.250866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.250866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.250866 (E_RNA)
where:
Base-Base interactions energy: -155.703
where: short stacking energy: -71.363
Base-Backbone interact. energy: -0.260
local terms energy: -94.287853
where:
bonds (distance) C4'-P energy: -20.631
bonds (distance) P-C4' energy: -23.824
flat angles C4'-P-C4' energy: -16.345
flat angles P-C4'-P energy: -17.567
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: 7, replica: 10
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -228.814425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.814425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.814425 (E_RNA)
where:
Base-Base interactions energy: -146.503
where: short stacking energy: -74.010
Base-Backbone interact. energy: -0.210
local terms energy: -82.101388
where:
bonds (distance) C4'-P energy: -19.330
bonds (distance) P-C4' energy: -18.704
flat angles C4'-P-C4' energy: -17.490
flat angles P-C4'-P energy: -13.512
tors. eta vs tors. theta energy: -13.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -252.342256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.342256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.342256 (E_RNA)
where:
Base-Base interactions energy: -155.072
where: short stacking energy: -70.774
Base-Backbone interact. energy: -0.405
local terms energy: -96.864798
where:
bonds (distance) C4'-P energy: -22.977
bonds (distance) P-C4' energy: -22.246
flat angles C4'-P-C4' energy: -19.415
flat angles P-C4'-P energy: -14.898
tors. eta vs tors. theta energy: -17.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -206.257131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.257131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.257131 (E_RNA)
where:
Base-Base interactions energy: -124.751
where: short stacking energy: -53.970
Base-Backbone interact. energy: -0.089
local terms energy: -81.417497
where:
bonds (distance) C4'-P energy: -16.878
bonds (distance) P-C4' energy: -16.127
flat angles C4'-P-C4' energy: -22.013
flat angles P-C4'-P energy: -14.123
tors. eta vs tors. theta energy: -12.276
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: 2
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -103.216408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.216408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.216408 (E_RNA)
where:
Base-Base interactions energy: -31.029
where: short stacking energy: -24.974
Base-Backbone interact. energy: -0.658
local terms energy: -71.529471
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -26.800
flat angles C4'-P-C4' energy: -10.963
flat angles P-C4'-P energy: -16.972
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: 5
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -366.044673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.044673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.044673 (E_RNA)
where:
Base-Base interactions energy: -246.866
where: short stacking energy: -111.331
Base-Backbone interact. energy: -0.032
local terms energy: -119.147176
where:
bonds (distance) C4'-P energy: -21.258
bonds (distance) P-C4' energy: -24.462
flat angles C4'-P-C4' energy: -22.711
flat angles P-C4'-P energy: -15.890
tors. eta vs tors. theta energy: -34.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -350.453298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.453298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.453298 (E_RNA)
where:
Base-Base interactions energy: -230.561
where: short stacking energy: -114.810
Base-Backbone interact. energy: -0.161
local terms energy: -119.730497
where:
bonds (distance) C4'-P energy: -17.706
bonds (distance) P-C4' energy: -23.448
flat angles C4'-P-C4' energy: -21.329
flat angles P-C4'-P energy: -21.578
tors. eta vs tors. theta energy: -35.670
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: 4
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -313.872854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.872854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.872854 (E_RNA)
where:
Base-Base interactions energy: -211.066
where: short stacking energy: -99.115
Base-Backbone interact. energy: -1.241
local terms energy: -101.565784
where:
bonds (distance) C4'-P energy: -18.756
bonds (distance) P-C4' energy: -23.517
flat angles C4'-P-C4' energy: -22.499
flat angles P-C4'-P energy: -8.550
tors. eta vs tors. theta energy: -28.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -284.054068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.054068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.054068 (E_RNA)
where:
Base-Base interactions energy: -191.578
where: short stacking energy: -92.054
Base-Backbone interact. energy: 3.047
local terms energy: -95.523162
where:
bonds (distance) C4'-P energy: -16.690
bonds (distance) P-C4' energy: -23.767
flat angles C4'-P-C4' energy: -19.489
flat angles P-C4'-P energy: -13.200
tors. eta vs tors. theta energy: -22.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -276.775473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.775473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.775473 (E_RNA)
where:
Base-Base interactions energy: -177.642
where: short stacking energy: -89.701
Base-Backbone interact. energy: -0.175
local terms energy: -98.957554
where:
bonds (distance) C4'-P energy: -19.717
bonds (distance) P-C4' energy: -22.557
flat angles C4'-P-C4' energy: -16.970
flat angles P-C4'-P energy: -10.025
tors. eta vs tors. theta energy: -29.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -257.728451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.728451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.728451 (E_RNA)
where:
Base-Base interactions energy: -157.559
where: short stacking energy: -79.780
Base-Backbone interact. energy: 1.690
local terms energy: -101.858932
where:
bonds (distance) C4'-P energy: -20.917
bonds (distance) P-C4' energy: -19.873
flat angles C4'-P-C4' energy: -21.292
flat angles P-C4'-P energy: -17.693
tors. eta vs tors. theta energy: -22.084
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: 315
Temperature: 1.200000
Total energy: -236.702934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.702934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.702934 (E_RNA)
where:
Base-Base interactions energy: -145.077
where: short stacking energy: -66.209
Base-Backbone interact. energy: -0.318
local terms energy: -91.307948
where:
bonds (distance) C4'-P energy: -18.813
bonds (distance) P-C4' energy: -21.287
flat angles C4'-P-C4' energy: -22.047
flat angles P-C4'-P energy: -17.288
tors. eta vs tors. theta energy: -11.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -255.218051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.218051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.218051 (E_RNA)
where:
Base-Base interactions energy: -173.006
where: short stacking energy: -64.991
Base-Backbone interact. energy: -0.320
local terms energy: -81.892168
where:
bonds (distance) C4'-P energy: -20.887
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -18.082
flat angles P-C4'-P energy: -12.955
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: 9, replica: 9
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -234.147786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.147786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.147786 (E_RNA)
where:
Base-Base interactions energy: -149.542
where: short stacking energy: -68.136
Base-Backbone interact. energy: 4.540
local terms energy: -89.145687
where:
bonds (distance) C4'-P energy: -16.228
bonds (distance) P-C4' energy: -23.806
flat angles C4'-P-C4' energy: -21.039
flat angles P-C4'-P energy: -11.784
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: 10, replica: 2
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -110.999435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.999435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.999435 (E_RNA)
where:
Base-Base interactions energy: -48.143
where: short stacking energy: -23.253
Base-Backbone interact. energy: -0.792
local terms energy: -62.064907
where:
bonds (distance) C4'-P energy: -13.248
bonds (distance) P-C4' energy: -21.856
flat angles C4'-P-C4' energy: -17.310
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: 0.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -343.871897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.871897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.871897 (E_RNA)
where:
Base-Base interactions energy: -234.404
where: short stacking energy: -106.552
Base-Backbone interact. energy: -0.438
local terms energy: -109.029377
where:
bonds (distance) C4'-P energy: -21.982
bonds (distance) P-C4' energy: -23.706
flat angles C4'-P-C4' energy: -21.115
flat angles P-C4'-P energy: -14.354
tors. eta vs tors. theta energy: -27.872
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: 316
Temperature: 0.950000
Total energy: -358.319856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.319856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.319856 (E_RNA)
where:
Base-Base interactions energy: -232.708
where: short stacking energy: -106.291
Base-Backbone interact. energy: -0.021
local terms energy: -125.590073
where:
bonds (distance) C4'-P energy: -25.175
bonds (distance) P-C4' energy: -24.382
flat angles C4'-P-C4' energy: -26.701
flat angles P-C4'-P energy: -18.727
tors. eta vs tors. theta energy: -30.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -290.393659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.393659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.393659 (E_RNA)
where:
Base-Base interactions energy: -189.910
where: short stacking energy: -81.066
Base-Backbone interact. energy: -0.117
local terms energy: -100.366200
where:
bonds (distance) C4'-P energy: -19.271
bonds (distance) P-C4' energy: -23.725
flat angles C4'-P-C4' energy: -24.493
flat angles P-C4'-P energy: -12.597
tors. eta vs tors. theta energy: -20.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -313.118175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.118175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.118175 (E_RNA)
where:
Base-Base interactions energy: -206.048
where: short stacking energy: -91.268
Base-Backbone interact. energy: -0.189
local terms energy: -106.881248
where:
bonds (distance) C4'-P energy: -18.983
bonds (distance) P-C4' energy: -22.953
flat angles C4'-P-C4' energy: -23.834
flat angles P-C4'-P energy: -16.462
tors. eta vs tors. theta energy: -24.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -286.441540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.441540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.441540 (E_RNA)
where:
Base-Base interactions energy: -181.579
where: short stacking energy: -93.385
Base-Backbone interact. energy: -0.021
local terms energy: -104.841639
where:
bonds (distance) C4'-P energy: -20.487
bonds (distance) P-C4' energy: -24.041
flat angles C4'-P-C4' energy: -23.526
flat angles P-C4'-P energy: -12.719
tors. eta vs tors. theta energy: -24.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -266.969040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.969040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.969040 (E_RNA)
where:
Base-Base interactions energy: -182.773
where: short stacking energy: -89.412
Base-Backbone interact. energy: 1.983
local terms energy: -86.178904
where:
bonds (distance) C4'-P energy: -18.070
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -23.375
flat angles P-C4'-P energy: -11.876
tors. eta vs tors. theta energy: -16.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -244.617843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.617843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.617843 (E_RNA)
where:
Base-Base interactions energy: -157.812
where: short stacking energy: -78.936
Base-Backbone interact. energy: -0.242
local terms energy: -86.564272
where:
bonds (distance) C4'-P energy: -18.449
bonds (distance) P-C4' energy: -14.555
flat angles C4'-P-C4' energy: -20.879
flat angles P-C4'-P energy: -14.454
tors. eta vs tors. theta energy: -18.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -205.723992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.723992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.723992 (E_RNA)
where:
Base-Base interactions energy: -121.610
where: short stacking energy: -73.752
Base-Backbone interact. energy: -0.396
local terms energy: -83.718479
where:
bonds (distance) C4'-P energy: -23.542
bonds (distance) P-C4' energy: -19.807
flat angles C4'-P-C4' energy: -18.707
flat angles P-C4'-P energy: -12.684
tors. eta vs tors. theta energy: -8.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -249.060893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.060893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.060893 (E_RNA)
where:
Base-Base interactions energy: -163.639
where: short stacking energy: -78.446
Base-Backbone interact. energy: -0.426
local terms energy: -84.996117
where:
bonds (distance) C4'-P energy: -18.516
bonds (distance) P-C4' energy: -18.101
flat angles C4'-P-C4' energy: -19.542
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -18.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -100.531221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.531221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.531221 (E_RNA)
where:
Base-Base interactions energy: -39.009
where: short stacking energy: -34.419
Base-Backbone interact. energy: -0.493
local terms energy: -61.029737
where:
bonds (distance) C4'-P energy: -21.825
bonds (distance) P-C4' energy: -20.677
flat angles C4'-P-C4' energy: -9.480
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: 0.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -337.567152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.567152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.567152 (E_RNA)
where:
Base-Base interactions energy: -223.925
where: short stacking energy: -106.800
Base-Backbone interact. energy: -0.436
local terms energy: -113.206642
where:
bonds (distance) C4'-P energy: -23.584
bonds (distance) P-C4' energy: -24.268
flat angles C4'-P-C4' energy: -20.579
flat angles P-C4'-P energy: -14.767
tors. eta vs tors. theta energy: -30.008
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: 5
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -362.499010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.499010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.499010 (E_RNA)
where:
Base-Base interactions energy: -244.734
where: short stacking energy: -101.493
Base-Backbone interact. energy: -0.405
local terms energy: -117.360796
where:
bonds (distance) C4'-P energy: -23.977
bonds (distance) P-C4' energy: -19.605
flat angles C4'-P-C4' energy: -22.575
flat angles P-C4'-P energy: -19.436
tors. eta vs tors. theta energy: -31.768
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: 6
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -295.038968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.038968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.038968 (E_RNA)
where:
Base-Base interactions energy: -187.235
where: short stacking energy: -88.456
Base-Backbone interact. energy: -0.319
local terms energy: -107.485260
where:
bonds (distance) C4'-P energy: -24.045
bonds (distance) P-C4' energy: -20.821
flat angles C4'-P-C4' energy: -20.291
flat angles P-C4'-P energy: -17.318
tors. eta vs tors. theta energy: -25.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -291.538196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.538196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.538196 (E_RNA)
where:
Base-Base interactions energy: -185.261
where: short stacking energy: -91.671
Base-Backbone interact. energy: -0.107
local terms energy: -106.170658
where:
bonds (distance) C4'-P energy: -21.448
bonds (distance) P-C4' energy: -24.881
flat angles C4'-P-C4' energy: -18.552
flat angles P-C4'-P energy: -12.202
tors. eta vs tors. theta energy: -29.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -317.776878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.776878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.776878 (E_RNA)
where:
Base-Base interactions energy: -206.497
where: short stacking energy: -98.606
Base-Backbone interact. energy: -0.573
local terms energy: -110.706739
where:
bonds (distance) C4'-P energy: -18.519
bonds (distance) P-C4' energy: -18.078
flat angles C4'-P-C4' energy: -22.613
flat angles P-C4'-P energy: -20.312
tors. eta vs tors. theta energy: -31.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -271.854075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.854075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.854075 (E_RNA)
where:
Base-Base interactions energy: -174.320
where: short stacking energy: -81.383
Base-Backbone interact. energy: -0.133
local terms energy: -97.400920
where:
bonds (distance) C4'-P energy: -21.404
bonds (distance) P-C4' energy: -25.784
flat angles C4'-P-C4' energy: -14.820
flat angles P-C4'-P energy: -14.063
tors. eta vs tors. theta energy: -21.331
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: 7, replica: 10
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -279.363641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.363641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.363641 (E_RNA)
where:
Base-Base interactions energy: -186.180
where: short stacking energy: -84.304
Base-Backbone interact. energy: -0.373
local terms energy: -92.810803
where:
bonds (distance) C4'-P energy: -16.920
bonds (distance) P-C4' energy: -18.760
flat angles C4'-P-C4' energy: -21.005
flat angles P-C4'-P energy: -16.216
tors. eta vs tors. theta energy: -19.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -229.914944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.914944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.914944 (E_RNA)
where:
Base-Base interactions energy: -141.862
where: short stacking energy: -69.881
Base-Backbone interact. energy: 0.267
local terms energy: -88.320514
where:
bonds (distance) C4'-P energy: -23.389
bonds (distance) P-C4' energy: -22.176
flat angles C4'-P-C4' energy: -17.219
flat angles P-C4'-P energy: -11.385
tors. eta vs tors. theta energy: -14.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -231.977827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.977827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.977827 (E_RNA)
where:
Base-Base interactions energy: -151.276
where: short stacking energy: -60.240
Base-Backbone interact. energy: -0.546
local terms energy: -80.155797
where:
bonds (distance) C4'-P energy: -22.611
bonds (distance) P-C4' energy: -20.400
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -6.867
tors. eta vs tors. theta energy: -14.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -116.487751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.487751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.487751 (E_RNA)
where:
Base-Base interactions energy: -44.675
where: short stacking energy: -41.275
Base-Backbone interact. energy: 4.924
local terms energy: -76.736817
where:
bonds (distance) C4'-P energy: -19.824
bonds (distance) P-C4' energy: -22.842
flat angles C4'-P-C4' energy: -19.095
flat angles P-C4'-P energy: -8.190
tors. eta vs tors. theta energy: -6.786
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: 5
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -369.830706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.830706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.830706 (E_RNA)
where:
Base-Base interactions energy: -247.727
where: short stacking energy: -109.443
Base-Backbone interact. energy: -0.626
local terms energy: -121.477367
where:
bonds (distance) C4'-P energy: -22.611
bonds (distance) P-C4' energy: -23.781
flat angles C4'-P-C4' energy: -24.181
flat angles P-C4'-P energy: -14.085
tors. eta vs tors. theta energy: -36.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -301.672720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.672720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.672720 (E_RNA)
where:
Base-Base interactions energy: -200.018
where: short stacking energy: -91.410
Base-Backbone interact. energy: -0.797
local terms energy: -100.858021
where:
bonds (distance) C4'-P energy: -23.489
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -27.221
flat angles P-C4'-P energy: -17.274
tors. eta vs tors. theta energy: -20.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -300.286283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.286283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.286283 (E_RNA)
where:
Base-Base interactions energy: -195.725
where: short stacking energy: -74.640
Base-Backbone interact. energy: -1.119
local terms energy: -103.442177
where:
bonds (distance) C4'-P energy: -21.990
bonds (distance) P-C4' energy: -21.615
flat angles C4'-P-C4' energy: -24.658
flat angles P-C4'-P energy: -17.865
tors. eta vs tors. theta energy: -17.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -296.821271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.821271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.821271 (E_RNA)
where:
Base-Base interactions energy: -199.194
where: short stacking energy: -93.671
Base-Backbone interact. energy: 0.297
local terms energy: -97.924478
where:
bonds (distance) C4'-P energy: -21.820
bonds (distance) P-C4' energy: -21.471
flat angles C4'-P-C4' energy: -21.347
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -22.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -321.754456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.754456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.754456 (E_RNA)
where:
Base-Base interactions energy: -210.376
where: short stacking energy: -93.801
Base-Backbone interact. energy: -0.258
local terms energy: -111.119522
where:
bonds (distance) C4'-P energy: -19.830
bonds (distance) P-C4' energy: -20.869
flat angles C4'-P-C4' energy: -23.841
flat angles P-C4'-P energy: -18.854
tors. eta vs tors. theta energy: -27.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -280.822791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.822791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.822791 (E_RNA)
where:
Base-Base interactions energy: -175.544
where: short stacking energy: -87.432
Base-Backbone interact. energy: -0.104
local terms energy: -105.174945
where:
bonds (distance) C4'-P energy: -17.602
bonds (distance) P-C4' energy: -19.163
flat angles C4'-P-C4' energy: -26.118
flat angles P-C4'-P energy: -19.011
tors. eta vs tors. theta energy: -23.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -274.941464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.941464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.941464 (E_RNA)
where:
Base-Base interactions energy: -178.068
where: short stacking energy: -79.242
Base-Backbone interact. energy: -0.450
local terms energy: -96.423607
where:
bonds (distance) C4'-P energy: -24.681
bonds (distance) P-C4' energy: -27.005
flat angles C4'-P-C4' energy: -14.420
flat angles P-C4'-P energy: -14.915
tors. eta vs tors. theta energy: -15.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -245.368469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.368469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.368469 (E_RNA)
where:
Base-Base interactions energy: -155.006
where: short stacking energy: -66.220
Base-Backbone interact. energy: -1.080
local terms energy: -89.282592
where:
bonds (distance) C4'-P energy: -19.548
bonds (distance) P-C4' energy: -18.349
flat angles C4'-P-C4' energy: -16.865
flat angles P-C4'-P energy: -14.916
tors. eta vs tors. theta energy: -19.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -226.559827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.559827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.559827 (E_RNA)
where:
Base-Base interactions energy: -133.679
where: short stacking energy: -59.111
Base-Backbone interact. energy: 0.642
local terms energy: -93.523154
where:
bonds (distance) C4'-P energy: -23.703
bonds (distance) P-C4' energy: -22.697
flat angles C4'-P-C4' energy: -23.266
flat angles P-C4'-P energy: -15.172
tors. eta vs tors. theta energy: -8.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -120.896288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.896288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.896288 (E_RNA)
where:
Base-Base interactions energy: -44.280
where: short stacking energy: -37.042
Base-Backbone interact. energy: 0.994
local terms energy: -77.609471
where:
bonds (distance) C4'-P energy: -21.473
bonds (distance) P-C4' energy: -18.505
flat angles C4'-P-C4' energy: -17.858
flat angles P-C4'-P energy: -15.809
tors. eta vs tors. theta energy: -3.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -370.634496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.634496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.634496 (E_RNA)
where:
Base-Base interactions energy: -251.584
where: short stacking energy: -111.702
Base-Backbone interact. energy: -0.094
local terms energy: -118.956508
where:
bonds (distance) C4'-P energy: -20.302
bonds (distance) P-C4' energy: -23.210
flat angles C4'-P-C4' energy: -26.197
flat angles P-C4'-P energy: -14.613
tors. eta vs tors. theta energy: -34.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -310.107455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.107455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.107455 (E_RNA)
where:
Base-Base interactions energy: -212.317
where: short stacking energy: -81.174
Base-Backbone interact. energy: -1.992
local terms energy: -95.799195
where:
bonds (distance) C4'-P energy: -19.069
bonds (distance) P-C4' energy: -20.044
flat angles C4'-P-C4' energy: -22.947
flat angles P-C4'-P energy: -16.248
tors. eta vs tors. theta energy: -17.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -313.123358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.123358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.123358 (E_RNA)
where:
Base-Base interactions energy: -218.915
where: short stacking energy: -84.018
Base-Backbone interact. energy: -0.194
local terms energy: -94.014324
where:
bonds (distance) C4'-P energy: -14.895
bonds (distance) P-C4' energy: -19.772
flat angles C4'-P-C4' energy: -21.846
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: -25.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -311.627282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.627282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.627282 (E_RNA)
where:
Base-Base interactions energy: -215.446
where: short stacking energy: -91.690
Base-Backbone interact. energy: -0.102
local terms energy: -96.079211
where:
bonds (distance) C4'-P energy: -20.081
bonds (distance) P-C4' energy: -18.712
flat angles C4'-P-C4' energy: -17.942
flat angles P-C4'-P energy: -13.272
tors. eta vs tors. theta energy: -26.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -269.321716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.321716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.321716 (E_RNA)
where:
Base-Base interactions energy: -175.615
where: short stacking energy: -76.254
Base-Backbone interact. energy: -0.141
local terms energy: -93.565948
where:
bonds (distance) C4'-P energy: -20.311
bonds (distance) P-C4' energy: -19.244
flat angles C4'-P-C4' energy: -20.679
flat angles P-C4'-P energy: -12.755
tors. eta vs tors. theta energy: -20.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -267.431548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.431548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.431548 (E_RNA)
where:
Base-Base interactions energy: -175.293
where: short stacking energy: -75.886
Base-Backbone interact. energy: -0.141
local terms energy: -91.997726
where:
bonds (distance) C4'-P energy: -23.722
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -22.539
flat angles P-C4'-P energy: -16.273
tors. eta vs tors. theta energy: -14.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -265.189906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.189906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.189906 (E_RNA)
where:
Base-Base interactions energy: -172.980
where: short stacking energy: -81.020
Base-Backbone interact. energy: -0.870
local terms energy: -91.340269
where:
bonds (distance) C4'-P energy: -23.646
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -18.747
flat angles P-C4'-P energy: -16.131
tors. eta vs tors. theta energy: -18.910
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: 9
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -248.168329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.168329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.168329 (E_RNA)
where:
Base-Base interactions energy: -159.247
where: short stacking energy: -65.720
Base-Backbone interact. energy: -0.118
local terms energy: -88.803583
where:
bonds (distance) C4'-P energy: -20.421
bonds (distance) P-C4' energy: -24.053
flat angles C4'-P-C4' energy: -20.661
flat angles P-C4'-P energy: -8.348
tors. eta vs tors. theta energy: -15.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -232.629394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.629394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.629394 (E_RNA)
where:
Base-Base interactions energy: -138.974
where: short stacking energy: -63.473
Base-Backbone interact. energy: -0.099
local terms energy: -93.556668
where:
bonds (distance) C4'-P energy: -22.830
bonds (distance) P-C4' energy: -22.664
flat angles C4'-P-C4' energy: -21.262
flat angles P-C4'-P energy: -15.610
tors. eta vs tors. theta energy: -11.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -103.805155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.805155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.805155 (E_RNA)
where:
Base-Base interactions energy: -38.018
where: short stacking energy: -31.840
Base-Backbone interact. energy: -0.484
local terms energy: -65.302811
where:
bonds (distance) C4'-P energy: -15.875
bonds (distance) P-C4' energy: -22.111
flat angles C4'-P-C4' energy: -17.157
flat angles P-C4'-P energy: -6.757
tors. eta vs tors. theta energy: -3.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -371.381640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.381640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.381640 (E_RNA)
where:
Base-Base interactions energy: -247.991
where: short stacking energy: -106.233
Base-Backbone interact. energy: -0.616
local terms energy: -122.774659
where:
bonds (distance) C4'-P energy: -25.927
bonds (distance) P-C4' energy: -25.246
flat angles C4'-P-C4' energy: -24.046
flat angles P-C4'-P energy: -14.155
tors. eta vs tors. theta energy: -33.401
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: 6
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -315.241049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.241049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.241049 (E_RNA)
where:
Base-Base interactions energy: -206.362
where: short stacking energy: -87.600
Base-Backbone interact. energy: -1.055
local terms energy: -107.824434
where:
bonds (distance) C4'-P energy: -23.972
bonds (distance) P-C4' energy: -25.670
flat angles C4'-P-C4' energy: -21.070
flat angles P-C4'-P energy: -15.524
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: 3, replica: 4
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -335.461643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.461643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.461643 (E_RNA)
where:
Base-Base interactions energy: -227.569
where: short stacking energy: -95.263
Base-Backbone interact. energy: 0.383
local terms energy: -108.275731
where:
bonds (distance) C4'-P energy: -20.874
bonds (distance) P-C4' energy: -22.866
flat angles C4'-P-C4' energy: -21.982
flat angles P-C4'-P energy: -13.774
tors. eta vs tors. theta energy: -28.781
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: 1
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -267.261387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.261387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.261387 (E_RNA)
where:
Base-Base interactions energy: -165.246
where: short stacking energy: -82.929
Base-Backbone interact. energy: 0.329
local terms energy: -102.344200
where:
bonds (distance) C4'-P energy: -26.094
bonds (distance) P-C4' energy: -22.717
flat angles C4'-P-C4' energy: -19.362
flat angles P-C4'-P energy: -15.052
tors. eta vs tors. theta energy: -19.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -271.253673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.253673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.253673 (E_RNA)
where:
Base-Base interactions energy: -176.017
where: short stacking energy: -77.324
Base-Backbone interact. energy: -0.012
local terms energy: -95.224302
where:
bonds (distance) C4'-P energy: -20.278
bonds (distance) P-C4' energy: -18.470
flat angles C4'-P-C4' energy: -22.877
flat angles P-C4'-P energy: -13.324
tors. eta vs tors. theta energy: -20.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -283.992726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.992726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.992726 (E_RNA)
where:
Base-Base interactions energy: -186.428
where: short stacking energy: -66.004
Base-Backbone interact. energy: -0.703
local terms energy: -96.861396
where:
bonds (distance) C4'-P energy: -24.819
bonds (distance) P-C4' energy: -21.321
flat angles C4'-P-C4' energy: -23.913
flat angles P-C4'-P energy: -11.601
tors. eta vs tors. theta energy: -15.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -248.071281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.071281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.071281 (E_RNA)
where:
Base-Base interactions energy: -159.904
where: short stacking energy: -79.606
Base-Backbone interact. energy: -0.127
local terms energy: -88.040426
where:
bonds (distance) C4'-P energy: -17.834
bonds (distance) P-C4' energy: -16.552
flat angles C4'-P-C4' energy: -21.361
flat angles P-C4'-P energy: -15.368
tors. eta vs tors. theta energy: -16.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -245.413625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.413625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.413625 (E_RNA)
where:
Base-Base interactions energy: -163.124
where: short stacking energy: -67.002
Base-Backbone interact. energy: -0.247
local terms energy: -82.043274
where:
bonds (distance) C4'-P energy: -21.067
bonds (distance) P-C4' energy: -11.422
flat angles C4'-P-C4' energy: -20.676
flat angles P-C4'-P energy: -12.232
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: 9, replica: 3
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -219.661831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.661831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.661831 (E_RNA)
where:
Base-Base interactions energy: -138.326
where: short stacking energy: -62.916
Base-Backbone interact. energy: -0.034
local terms energy: -81.302321
where:
bonds (distance) C4'-P energy: -17.470
bonds (distance) P-C4' energy: -7.866
flat angles C4'-P-C4' energy: -22.602
flat angles P-C4'-P energy: -14.802
tors. eta vs tors. theta energy: -18.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -113.300433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.300433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.300433 (E_RNA)
where:
Base-Base interactions energy: -46.270
where: short stacking energy: -36.433
Base-Backbone interact. energy: -0.840
local terms energy: -66.190129
where:
bonds (distance) C4'-P energy: -22.888
bonds (distance) P-C4' energy: -22.564
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -6.098
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: 1, replica: 5
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -372.111172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.111172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.111172 (E_RNA)
where:
Base-Base interactions energy: -251.008
where: short stacking energy: -106.886
Base-Backbone interact. energy: -0.015
local terms energy: -121.087726
where:
bonds (distance) C4'-P energy: -25.009
bonds (distance) P-C4' energy: -21.876
flat angles C4'-P-C4' energy: -23.821
flat angles P-C4'-P energy: -16.609
tors. eta vs tors. theta energy: -33.773
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: 4
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -344.595179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.595179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.595179 (E_RNA)
where:
Base-Base interactions energy: -235.703
where: short stacking energy: -99.748
Base-Backbone interact. energy: -0.585
local terms energy: -108.306573
where:
bonds (distance) C4'-P energy: -16.689
bonds (distance) P-C4' energy: -27.257
flat angles C4'-P-C4' energy: -19.050
flat angles P-C4'-P energy: -13.361
tors. eta vs tors. theta energy: -31.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -304.815340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.815340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.815340 (E_RNA)
where:
Base-Base interactions energy: -193.931
where: short stacking energy: -81.739
Base-Backbone interact. energy: -0.264
local terms energy: -110.621180
where:
bonds (distance) C4'-P energy: -22.975
bonds (distance) P-C4' energy: -24.780
flat angles C4'-P-C4' energy: -20.850
flat angles P-C4'-P energy: -19.259
tors. eta vs tors. theta energy: -22.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -274.809968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.809968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.809968 (E_RNA)
where:
Base-Base interactions energy: -168.275
where: short stacking energy: -87.402
Base-Backbone interact. energy: 1.262
local terms energy: -107.797043
where:
bonds (distance) C4'-P energy: -20.182
bonds (distance) P-C4' energy: -25.437
flat angles C4'-P-C4' energy: -25.019
flat angles P-C4'-P energy: -16.552
tors. eta vs tors. theta energy: -20.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -289.196788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.196788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.196788 (E_RNA)
where:
Base-Base interactions energy: -181.097
where: short stacking energy: -81.111
Base-Backbone interact. energy: -1.442
local terms energy: -106.657860
where:
bonds (distance) C4'-P energy: -24.389
bonds (distance) P-C4' energy: -19.643
flat angles C4'-P-C4' energy: -23.751
flat angles P-C4'-P energy: -17.604
tors. eta vs tors. theta energy: -21.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -264.328665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.328665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.328665 (E_RNA)
where:
Base-Base interactions energy: -165.941
where: short stacking energy: -78.728
Base-Backbone interact. energy: 1.675
local terms energy: -100.062555
where:
bonds (distance) C4'-P energy: -19.350
bonds (distance) P-C4' energy: -25.165
flat angles C4'-P-C4' energy: -21.838
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -22.288
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: 9
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -247.144745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.144745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.144745 (E_RNA)
where:
Base-Base interactions energy: -163.095
where: short stacking energy: -71.112
Base-Backbone interact. energy: -0.309
local terms energy: -83.740972
where:
bonds (distance) C4'-P energy: -21.668
bonds (distance) P-C4' energy: -19.662
flat angles C4'-P-C4' energy: -16.699
flat angles P-C4'-P energy: -13.463
tors. eta vs tors. theta energy: -12.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -243.954650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.954650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.954650 (E_RNA)
where:
Base-Base interactions energy: -152.816
where: short stacking energy: -61.678
Base-Backbone interact. energy: -0.127
local terms energy: -91.011471
where:
bonds (distance) C4'-P energy: -20.990
bonds (distance) P-C4' energy: -19.123
flat angles C4'-P-C4' energy: -19.616
flat angles P-C4'-P energy: -15.406
tors. eta vs tors. theta energy: -15.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -243.781242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.781242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.781242 (E_RNA)
where:
Base-Base interactions energy: -158.508
where: short stacking energy: -71.233
Base-Backbone interact. energy: -0.260
local terms energy: -85.013243
where:
bonds (distance) C4'-P energy: -17.039
bonds (distance) P-C4' energy: -21.229
flat angles C4'-P-C4' energy: -23.805
flat angles P-C4'-P energy: -7.420
tors. eta vs tors. theta energy: -15.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -117.619574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.619574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.619574 (E_RNA)
where:
Base-Base interactions energy: -42.914
where: short stacking energy: -39.697
Base-Backbone interact. energy: 1.305
local terms energy: -76.010254
where:
bonds (distance) C4'-P energy: -14.692
bonds (distance) P-C4' energy: -21.709
flat angles C4'-P-C4' energy: -22.649
flat angles P-C4'-P energy: -9.775
tors. eta vs tors. theta energy: -7.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -368.214356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.214356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.214356 (E_RNA)
where:
Base-Base interactions energy: -241.516
where: short stacking energy: -103.772
Base-Backbone interact. energy: -0.062
local terms energy: -126.635859
where:
bonds (distance) C4'-P energy: -25.017
bonds (distance) P-C4' energy: -25.916
flat angles C4'-P-C4' energy: -26.156
flat angles P-C4'-P energy: -16.366
tors. eta vs tors. theta energy: -33.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -343.100711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.100711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.100711 (E_RNA)
where:
Base-Base interactions energy: -233.076
where: short stacking energy: -98.119
Base-Backbone interact. energy: -0.480
local terms energy: -109.544981
where:
bonds (distance) C4'-P energy: -20.653
bonds (distance) P-C4' energy: -22.446
flat angles C4'-P-C4' energy: -19.273
flat angles P-C4'-P energy: -20.480
tors. eta vs tors. theta energy: -26.692
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: 322
Temperature: 1.000000
Total energy: -296.746907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.746907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.746907 (E_RNA)
where:
Base-Base interactions energy: -191.875
where: short stacking energy: -83.518
Base-Backbone interact. energy: -1.524
local terms energy: -103.348776
where:
bonds (distance) C4'-P energy: -16.738
bonds (distance) P-C4' energy: -22.041
flat angles C4'-P-C4' energy: -26.083
flat angles P-C4'-P energy: -16.460
tors. eta vs tors. theta energy: -22.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -277.000279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.000279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.000279 (E_RNA)
where:
Base-Base interactions energy: -180.437
where: short stacking energy: -89.575
Base-Backbone interact. energy: -0.023
local terms energy: -96.540882
where:
bonds (distance) C4'-P energy: -22.703
bonds (distance) P-C4' energy: -20.769
flat angles C4'-P-C4' energy: -21.440
flat angles P-C4'-P energy: -12.502
tors. eta vs tors. theta energy: -19.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -269.610100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.610100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.610100 (E_RNA)
where:
Base-Base interactions energy: -179.401
where: short stacking energy: -81.378
Base-Backbone interact. energy: -0.094
local terms energy: -90.115145
where:
bonds (distance) C4'-P energy: -18.572
bonds (distance) P-C4' energy: -24.539
flat angles C4'-P-C4' energy: -21.659
flat angles P-C4'-P energy: -7.918
tors. eta vs tors. theta energy: -17.428
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: 1
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -259.761154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.761154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.761154 (E_RNA)
where:
Base-Base interactions energy: -165.149
where: short stacking energy: -78.138
Base-Backbone interact. energy: -0.073
local terms energy: -94.539471
where:
bonds (distance) C4'-P energy: -21.444
bonds (distance) P-C4' energy: -22.108
flat angles C4'-P-C4' energy: -17.328
flat angles P-C4'-P energy: -16.325
tors. eta vs tors. theta energy: -17.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -254.666394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.666394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.666394 (E_RNA)
where:
Base-Base interactions energy: -170.216
where: short stacking energy: -73.426
Base-Backbone interact. energy: -0.443
local terms energy: -84.007314
where:
bonds (distance) C4'-P energy: -18.164
bonds (distance) P-C4' energy: -18.325
flat angles C4'-P-C4' energy: -19.076
flat angles P-C4'-P energy: -14.062
tors. eta vs tors. theta energy: -14.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -238.345322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.345322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.345322 (E_RNA)
where:
Base-Base interactions energy: -140.368
where: short stacking energy: -65.793
Base-Backbone interact. energy: -0.380
local terms energy: -97.597943
where:
bonds (distance) C4'-P energy: -22.743
bonds (distance) P-C4' energy: -22.827
flat angles C4'-P-C4' energy: -24.427
flat angles P-C4'-P energy: -7.631
tors. eta vs tors. theta energy: -19.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -110.762710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.762710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.762710 (E_RNA)
where:
Base-Base interactions energy: -38.404
where: short stacking energy: -34.296
Base-Backbone interact. energy: -0.158
local terms energy: -72.200302
where:
bonds (distance) C4'-P energy: -23.410
bonds (distance) P-C4' energy: -22.093
flat angles C4'-P-C4' energy: -19.518
flat angles P-C4'-P energy: -3.566
tors. eta vs tors. theta energy: -3.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -232.478990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.478990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.478990 (E_RNA)
where:
Base-Base interactions energy: -141.191
where: short stacking energy: -61.004
Base-Backbone interact. energy: -0.475
local terms energy: -90.813016
where:
bonds (distance) C4'-P energy: -24.090
bonds (distance) P-C4' energy: -20.095
flat angles C4'-P-C4' energy: -19.155
flat angles P-C4'-P energy: -11.446
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: 1, replica: 5
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -370.875664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.875664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.875664 (E_RNA)
where:
Base-Base interactions energy: -250.311
where: short stacking energy: -109.629
Base-Backbone interact. energy: -0.345
local terms energy: -120.219001
where:
bonds (distance) C4'-P energy: -22.591
bonds (distance) P-C4' energy: -21.621
flat angles C4'-P-C4' energy: -23.574
flat angles P-C4'-P energy: -18.350
tors. eta vs tors. theta energy: -34.083
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: 2, replica: 4
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -347.985640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.985640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.985640 (E_RNA)
where:
Base-Base interactions energy: -226.427
where: short stacking energy: -110.795
Base-Backbone interact. energy: -0.212
local terms energy: -121.347209
where:
bonds (distance) C4'-P energy: -21.627
bonds (distance) P-C4' energy: -26.469
flat angles C4'-P-C4' energy: -25.012
flat angles P-C4'-P energy: -16.357
tors. eta vs tors. theta energy: -31.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -302.518222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.518222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.518222 (E_RNA)
where:
Base-Base interactions energy: -198.031
where: short stacking energy: -90.097
Base-Backbone interact. energy: 0.354
local terms energy: -104.841311
where:
bonds (distance) C4'-P energy: -21.272
bonds (distance) P-C4' energy: -23.355
flat angles C4'-P-C4' energy: -22.746
flat angles P-C4'-P energy: -16.315
tors. eta vs tors. theta energy: -21.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -278.524120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.524120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.524120 (E_RNA)
where:
Base-Base interactions energy: -183.141
where: short stacking energy: -81.818
Base-Backbone interact. energy: -0.304
local terms energy: -95.079214
where:
bonds (distance) C4'-P energy: -21.038
bonds (distance) P-C4' energy: -24.658
flat angles C4'-P-C4' energy: -17.176
flat angles P-C4'-P energy: -13.171
tors. eta vs tors. theta energy: -19.037
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: 323
Temperature: 1.100000
Total energy: -270.652474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.652474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.652474 (E_RNA)
where:
Base-Base interactions energy: -183.326
where: short stacking energy: -86.086
Base-Backbone interact. energy: -0.253
local terms energy: -87.074127
where:
bonds (distance) C4'-P energy: -15.086
bonds (distance) P-C4' energy: -23.622
flat angles C4'-P-C4' energy: -18.392
flat angles P-C4'-P energy: -14.649
tors. eta vs tors. theta energy: -15.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -270.258030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.258030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.258030 (E_RNA)
where:
Base-Base interactions energy: -177.128
where: short stacking energy: -82.277
Base-Backbone interact. energy: 1.789
local terms energy: -94.918873
where:
bonds (distance) C4'-P energy: -17.027
bonds (distance) P-C4' energy: -14.966
flat angles C4'-P-C4' energy: -21.144
flat angles P-C4'-P energy: -18.660
tors. eta vs tors. theta energy: -23.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -269.598315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.598315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.598315 (E_RNA)
where:
Base-Base interactions energy: -178.965
where: short stacking energy: -82.193
Base-Backbone interact. energy: -0.373
local terms energy: -90.260660
where:
bonds (distance) C4'-P energy: -20.749
bonds (distance) P-C4' energy: -19.832
flat angles C4'-P-C4' energy: -18.592
flat angles P-C4'-P energy: -13.741
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: 8, replica: 3
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -245.931010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.931010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.931010 (E_RNA)
where:
Base-Base interactions energy: -155.107
where: short stacking energy: -71.978
Base-Backbone interact. energy: -0.592
local terms energy: -90.231922
where:
bonds (distance) C4'-P energy: -19.771
bonds (distance) P-C4' energy: -17.984
flat angles C4'-P-C4' energy: -16.073
flat angles P-C4'-P energy: -17.074
tors. eta vs tors. theta energy: -19.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -118.530431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.530431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.530431 (E_RNA)
where:
Base-Base interactions energy: -46.908
where: short stacking energy: -43.978
Base-Backbone interact. energy: -0.152
local terms energy: -71.470899
where:
bonds (distance) C4'-P energy: -17.679
bonds (distance) P-C4' energy: -20.281
flat angles C4'-P-C4' energy: -19.727
flat angles P-C4'-P energy: -10.642
tors. eta vs tors. theta energy: -3.142
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: 10
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -222.214163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.214163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.214163 (E_RNA)
where:
Base-Base interactions energy: -143.549
where: short stacking energy: -58.214
Base-Backbone interact. energy: 1.481
local terms energy: -80.146082
where:
bonds (distance) C4'-P energy: -19.680
bonds (distance) P-C4' energy: -21.362
flat angles C4'-P-C4' energy: -19.657
flat angles P-C4'-P energy: -11.641
tors. eta vs tors. theta energy: -7.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -369.475214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.475214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.475214 (E_RNA)
where:
Base-Base interactions energy: -259.590
where: short stacking energy: -110.074
Base-Backbone interact. energy: -0.048
local terms energy: -109.837707
where:
bonds (distance) C4'-P energy: -22.648
bonds (distance) P-C4' energy: -16.015
flat angles C4'-P-C4' energy: -23.250
flat angles P-C4'-P energy: -11.183
tors. eta vs tors. theta energy: -36.741
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: 4
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -340.670058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.670058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.670058 (E_RNA)
where:
Base-Base interactions energy: -229.772
where: short stacking energy: -97.113
Base-Backbone interact. energy: -0.558
local terms energy: -110.340309
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -23.528
flat angles C4'-P-C4' energy: -23.457
flat angles P-C4'-P energy: -16.622
tors. eta vs tors. theta energy: -31.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -288.969520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.969520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.969520 (E_RNA)
where:
Base-Base interactions energy: -189.280
where: short stacking energy: -78.973
Base-Backbone interact. energy: -0.506
local terms energy: -99.183949
where:
bonds (distance) C4'-P energy: -25.411
bonds (distance) P-C4' energy: -20.580
flat angles C4'-P-C4' energy: -20.182
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: -22.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -304.867368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.867368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.867368 (E_RNA)
where:
Base-Base interactions energy: -198.961
where: short stacking energy: -94.437
Base-Backbone interact. energy: 0.807
local terms energy: -106.713298
where:
bonds (distance) C4'-P energy: -20.625
bonds (distance) P-C4' energy: -19.830
flat angles C4'-P-C4' energy: -24.285
flat angles P-C4'-P energy: -18.977
tors. eta vs tors. theta energy: -22.997
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: 5, replica: 9
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -281.700459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.700459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.700459 (E_RNA)
where:
Base-Base interactions energy: -185.075
where: short stacking energy: -86.336
Base-Backbone interact. energy: -2.067
local terms energy: -94.558432
where:
bonds (distance) C4'-P energy: -19.259
bonds (distance) P-C4' energy: -19.255
flat angles C4'-P-C4' energy: -20.027
flat angles P-C4'-P energy: -15.639
tors. eta vs tors. theta energy: -20.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -292.499034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.499034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.499034 (E_RNA)
where:
Base-Base interactions energy: -176.893
where: short stacking energy: -89.750
Base-Backbone interact. energy: -0.037
local terms energy: -115.569846
where:
bonds (distance) C4'-P energy: -23.994
bonds (distance) P-C4' energy: -23.468
flat angles C4'-P-C4' energy: -24.750
flat angles P-C4'-P energy: -17.449
tors. eta vs tors. theta energy: -25.908
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: 1
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -272.386298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.386298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.386298 (E_RNA)
where:
Base-Base interactions energy: -181.820
where: short stacking energy: -89.644
Base-Backbone interact. energy: 0.378
local terms energy: -90.944353
where:
bonds (distance) C4'-P energy: -19.666
bonds (distance) P-C4' energy: -20.008
flat angles C4'-P-C4' energy: -21.788
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: -20.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -255.927395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.927395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.927395 (E_RNA)
where:
Base-Base interactions energy: -168.378
where: short stacking energy: -72.944
Base-Backbone interact. energy: -0.743
local terms energy: -86.806433
where:
bonds (distance) C4'-P energy: -16.657
bonds (distance) P-C4' energy: -22.941
flat angles C4'-P-C4' energy: -20.630
flat angles P-C4'-P energy: -14.917
tors. eta vs tors. theta energy: -11.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -216.928246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.928246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.928246 (E_RNA)
where:
Base-Base interactions energy: -122.845
where: short stacking energy: -56.873
Base-Backbone interact. energy: -0.356
local terms energy: -93.727230
where:
bonds (distance) C4'-P energy: -23.866
bonds (distance) P-C4' energy: -21.156
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -18.362
tors. eta vs tors. theta energy: -14.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -108.646337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.646337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.646337 (E_RNA)
where:
Base-Base interactions energy: -36.495
where: short stacking energy: -35.216
Base-Backbone interact. energy: 0.328
local terms energy: -72.478739
where:
bonds (distance) C4'-P energy: -20.691
bonds (distance) P-C4' energy: -22.083
flat angles C4'-P-C4' energy: -14.391
flat angles P-C4'-P energy: -13.437
tors. eta vs tors. theta energy: -1.877
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: 5
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -372.997955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.997955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.997955 (E_RNA)
where:
Base-Base interactions energy: -256.659
where: short stacking energy: -110.203
Base-Backbone interact. energy: -0.113
local terms energy: -116.226443
where:
bonds (distance) C4'-P energy: -22.252
bonds (distance) P-C4' energy: -22.122
flat angles C4'-P-C4' energy: -22.963
flat angles P-C4'-P energy: -14.279
tors. eta vs tors. theta energy: -34.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -357.045399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.045399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.045399 (E_RNA)
where:
Base-Base interactions energy: -232.675
where: short stacking energy: -108.932
Base-Backbone interact. energy: -0.136
local terms energy: -124.235151
where:
bonds (distance) C4'-P energy: -25.612
bonds (distance) P-C4' energy: -26.582
flat angles C4'-P-C4' energy: -24.034
flat angles P-C4'-P energy: -16.578
tors. eta vs tors. theta energy: -31.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -303.777681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.777681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.777681 (E_RNA)
where:
Base-Base interactions energy: -199.645
where: short stacking energy: -77.291
Base-Backbone interact. energy: -0.171
local terms energy: -103.961922
where:
bonds (distance) C4'-P energy: -23.564
bonds (distance) P-C4' energy: -18.244
flat angles C4'-P-C4' energy: -22.945
flat angles P-C4'-P energy: -18.746
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: 4, replica: 9
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -299.493455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.493455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.493455 (E_RNA)
where:
Base-Base interactions energy: -195.518
where: short stacking energy: -84.990
Base-Backbone interact. energy: -1.436
local terms energy: -102.540198
where:
bonds (distance) C4'-P energy: -23.606
bonds (distance) P-C4' energy: -23.428
flat angles C4'-P-C4' energy: -23.388
flat angles P-C4'-P energy: -9.084
tors. eta vs tors. theta energy: -23.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -273.848239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.848239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.848239 (E_RNA)
where:
Base-Base interactions energy: -177.705
where: short stacking energy: -86.609
Base-Backbone interact. energy: -2.324
local terms energy: -93.819726
where:
bonds (distance) C4'-P energy: -21.455
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -20.572
flat angles P-C4'-P energy: -13.967
tors. eta vs tors. theta energy: -21.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -268.139376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.139376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.139376 (E_RNA)
where:
Base-Base interactions energy: -169.865
where: short stacking energy: -77.336
Base-Backbone interact. energy: -0.958
local terms energy: -97.316336
where:
bonds (distance) C4'-P energy: -20.239
bonds (distance) P-C4' energy: -21.697
flat angles C4'-P-C4' energy: -22.978
flat angles P-C4'-P energy: -12.396
tors. eta vs tors. theta energy: -20.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -229.974586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.974586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.974586 (E_RNA)
where:
Base-Base interactions energy: -137.676
where: short stacking energy: -66.812
Base-Backbone interact. energy: -1.011
local terms energy: -91.288054
where:
bonds (distance) C4'-P energy: -18.318
bonds (distance) P-C4' energy: -19.946
flat angles C4'-P-C4' energy: -17.445
flat angles P-C4'-P energy: -15.128
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: 8, replica: 10
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -248.263166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.263166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.263166 (E_RNA)
where:
Base-Base interactions energy: -164.289
where: short stacking energy: -65.879
Base-Backbone interact. energy: -0.685
local terms energy: -83.289092
where:
bonds (distance) C4'-P energy: -14.548
bonds (distance) P-C4' energy: -21.043
flat angles C4'-P-C4' energy: -20.253
flat angles P-C4'-P energy: -9.247
tors. eta vs tors. theta energy: -18.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -241.704757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.704757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.704757 (E_RNA)
where:
Base-Base interactions energy: -165.726
where: short stacking energy: -64.408
Base-Backbone interact. energy: -1.036
local terms energy: -74.942943
where:
bonds (distance) C4'-P energy: -20.562
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -18.029
flat angles P-C4'-P energy: -13.485
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: 10, replica: 2
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -105.747563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.747563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.747563 (E_RNA)
where:
Base-Base interactions energy: -36.184
where: short stacking energy: -30.505
Base-Backbone interact. energy: 1.297
local terms energy: -70.860268
where:
bonds (distance) C4'-P energy: -22.212
bonds (distance) P-C4' energy: -21.388
flat angles C4'-P-C4' energy: -19.036
flat angles P-C4'-P energy: -12.373
tors. eta vs tors. theta energy: 4.149
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: 5
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -373.685861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.685861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.685861 (E_RNA)
where:
Base-Base interactions energy: -255.911
where: short stacking energy: -111.881
Base-Backbone interact. energy: -0.071
local terms energy: -117.704625
where:
bonds (distance) C4'-P energy: -17.471
bonds (distance) P-C4' energy: -22.764
flat angles C4'-P-C4' energy: -26.120
flat angles P-C4'-P energy: -15.954
tors. eta vs tors. theta energy: -35.396
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: 4
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -359.129344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.129344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.129344 (E_RNA)
where:
Base-Base interactions energy: -244.226
where: short stacking energy: -107.282
Base-Backbone interact. energy: -0.161
local terms energy: -114.741809
where:
bonds (distance) C4'-P energy: -21.006
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -24.138
flat angles P-C4'-P energy: -17.335
tors. eta vs tors. theta energy: -34.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -309.454349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.454349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.454349 (E_RNA)
where:
Base-Base interactions energy: -213.239
where: short stacking energy: -80.172
Base-Backbone interact. energy: -0.902
local terms energy: -95.313090
where:
bonds (distance) C4'-P energy: -17.346
bonds (distance) P-C4' energy: -23.712
flat angles C4'-P-C4' energy: -20.853
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -23.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -283.143642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.143642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.143642 (E_RNA)
where:
Base-Base interactions energy: -177.162
where: short stacking energy: -90.757
Base-Backbone interact. energy: -0.124
local terms energy: -105.857095
where:
bonds (distance) C4'-P energy: -22.462
bonds (distance) P-C4' energy: -20.435
flat angles C4'-P-C4' energy: -21.132
flat angles P-C4'-P energy: -18.947
tors. eta vs tors. theta energy: -22.880
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: 6
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -288.035287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.035287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.035287 (E_RNA)
where:
Base-Base interactions energy: -189.876
where: short stacking energy: -76.891
Base-Backbone interact. energy: -0.693
local terms energy: -97.465971
where:
bonds (distance) C4'-P energy: -23.163
bonds (distance) P-C4' energy: -22.654
flat angles C4'-P-C4' energy: -22.501
flat angles P-C4'-P energy: -15.836
tors. eta vs tors. theta energy: -13.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -282.567378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.567378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.567378 (E_RNA)
where:
Base-Base interactions energy: -183.800
where: short stacking energy: -81.594
Base-Backbone interact. energy: -0.430
local terms energy: -98.337998
where:
bonds (distance) C4'-P energy: -20.048
bonds (distance) P-C4' energy: -21.655
flat angles C4'-P-C4' energy: -22.928
flat angles P-C4'-P energy: -12.834
tors. eta vs tors. theta energy: -20.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -266.892371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.892371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.892371 (E_RNA)
where:
Base-Base interactions energy: -171.647
where: short stacking energy: -88.784
Base-Backbone interact. energy: -0.477
local terms energy: -94.768720
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -17.941
flat angles C4'-P-C4' energy: -22.831
flat angles P-C4'-P energy: -17.977
tors. eta vs tors. theta energy: -20.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -220.187612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.187612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.187612 (E_RNA)
where:
Base-Base interactions energy: -128.170
where: short stacking energy: -74.034
Base-Backbone interact. energy: -0.531
local terms energy: -91.486931
where:
bonds (distance) C4'-P energy: -20.340
bonds (distance) P-C4' energy: -24.181
flat angles C4'-P-C4' energy: -20.721
flat angles P-C4'-P energy: -7.661
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: 9, replica: 3
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -235.448455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.448455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.448455 (E_RNA)
where:
Base-Base interactions energy: -148.203
where: short stacking energy: -60.958
Base-Backbone interact. energy: -0.172
local terms energy: -87.074039
where:
bonds (distance) C4'-P energy: -16.361
bonds (distance) P-C4' energy: -19.467
flat angles C4'-P-C4' energy: -23.606
flat angles P-C4'-P energy: -14.896
tors. eta vs tors. theta energy: -12.745
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: 2
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -96.599013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.599013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.599013 (E_RNA)
where:
Base-Base interactions energy: -29.693
where: short stacking energy: -29.693
Base-Backbone interact. energy: -0.234
local terms energy: -66.672319
where:
bonds (distance) C4'-P energy: -22.310
bonds (distance) P-C4' energy: -18.593
flat angles C4'-P-C4' energy: -16.580
flat angles P-C4'-P energy: -12.625
tors. eta vs tors. theta energy: 3.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -373.662666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.662666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.662666 (E_RNA)
where:
Base-Base interactions energy: -257.710
where: short stacking energy: -111.160
Base-Backbone interact. energy: -0.086
local terms energy: -115.866577
where:
bonds (distance) C4'-P energy: -16.618
bonds (distance) P-C4' energy: -24.461
flat angles C4'-P-C4' energy: -26.036
flat angles P-C4'-P energy: -15.718
tors. eta vs tors. theta energy: -33.033
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: 4
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -347.974755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.974755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.974755 (E_RNA)
where:
Base-Base interactions energy: -229.608
where: short stacking energy: -113.538
Base-Backbone interact. energy: 0.527
local terms energy: -118.893437
where:
bonds (distance) C4'-P energy: -21.197
bonds (distance) P-C4' energy: -20.146
flat angles C4'-P-C4' energy: -27.210
flat angles P-C4'-P energy: -18.259
tors. eta vs tors. theta energy: -32.081
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: 9
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -289.347774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.347774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.347774 (E_RNA)
where:
Base-Base interactions energy: -179.120
where: short stacking energy: -76.581
Base-Backbone interact. energy: -0.672
local terms energy: -109.555542
where:
bonds (distance) C4'-P energy: -25.530
bonds (distance) P-C4' energy: -23.235
flat angles C4'-P-C4' energy: -23.030
flat angles P-C4'-P energy: -14.959
tors. eta vs tors. theta energy: -22.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -297.610426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.610426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.610426 (E_RNA)
where:
Base-Base interactions energy: -196.279
where: short stacking energy: -78.789
Base-Backbone interact. energy: -0.754
local terms energy: -100.577386
where:
bonds (distance) C4'-P energy: -23.554
bonds (distance) P-C4' energy: -17.589
flat angles C4'-P-C4' energy: -22.551
flat angles P-C4'-P energy: -15.444
tors. eta vs tors. theta energy: -21.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -274.876798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.876798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.876798 (E_RNA)
where:
Base-Base interactions energy: -169.892
where: short stacking energy: -86.349
Base-Backbone interact. energy: 0.049
local terms energy: -105.033672
where:
bonds (distance) C4'-P energy: -22.914
bonds (distance) P-C4' energy: -24.256
flat angles C4'-P-C4' energy: -17.988
flat angles P-C4'-P energy: -15.854
tors. eta vs tors. theta energy: -24.021
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: 10
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -252.872171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.872171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.872171 (E_RNA)
where:
Base-Base interactions energy: -159.485
where: short stacking energy: -76.608
Base-Backbone interact. energy: -0.093
local terms energy: -93.294535
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -22.310
flat angles C4'-P-C4' energy: -19.618
flat angles P-C4'-P energy: -13.167
tors. eta vs tors. theta energy: -20.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -247.431691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.431691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.431691 (E_RNA)
where:
Base-Base interactions energy: -158.936
where: short stacking energy: -68.002
Base-Backbone interact. energy: -0.413
local terms energy: -88.083008
where:
bonds (distance) C4'-P energy: -10.986
bonds (distance) P-C4' energy: -25.667
flat angles C4'-P-C4' energy: -22.254
flat angles P-C4'-P energy: -16.215
tors. eta vs tors. theta energy: -12.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -210.551241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.551241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.551241 (E_RNA)
where:
Base-Base interactions energy: -133.960
where: short stacking energy: -67.346
Base-Backbone interact. energy: -0.123
local terms energy: -76.468626
where:
bonds (distance) C4'-P energy: -15.135
bonds (distance) P-C4' energy: -22.047
flat angles C4'-P-C4' energy: -18.303
flat angles P-C4'-P energy: -16.229
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: 9, replica: 1
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -247.107257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.107257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.107257 (E_RNA)
where:
Base-Base interactions energy: -156.678
where: short stacking energy: -72.943
Base-Backbone interact. energy: 0.119
local terms energy: -90.548316
where:
bonds (distance) C4'-P energy: -23.348
bonds (distance) P-C4' energy: -19.996
flat angles C4'-P-C4' energy: -20.414
flat angles P-C4'-P energy: -10.258
tors. eta vs tors. theta energy: -16.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -127.319634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.319634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.319634 (E_RNA)
where:
Base-Base interactions energy: -55.320
where: short stacking energy: -25.473
Base-Backbone interact. energy: -0.770
local terms energy: -71.229943
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -24.033
flat angles C4'-P-C4' energy: -20.927
flat angles P-C4'-P energy: -5.512
tors. eta vs tors. theta energy: -3.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -374.074371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.074371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.074371 (E_RNA)
where:
Base-Base interactions energy: -253.030
where: short stacking energy: -108.591
Base-Backbone interact. energy: -0.023
local terms energy: -121.021205
where:
bonds (distance) C4'-P energy: -22.528
bonds (distance) P-C4' energy: -22.629
flat angles C4'-P-C4' energy: -23.702
flat angles P-C4'-P energy: -15.647
tors. eta vs tors. theta energy: -36.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -332.262174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.262174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.262174 (E_RNA)
where:
Base-Base interactions energy: -219.151
where: short stacking energy: -94.999
Base-Backbone interact. energy: 0.027
local terms energy: -113.138473
where:
bonds (distance) C4'-P energy: -24.743
bonds (distance) P-C4' energy: -22.190
flat angles C4'-P-C4' energy: -23.238
flat angles P-C4'-P energy: -14.756
tors. eta vs tors. theta energy: -28.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -323.266997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.266997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.266997 (E_RNA)
where:
Base-Base interactions energy: -220.565
where: short stacking energy: -92.239
Base-Backbone interact. energy: -1.795
local terms energy: -100.907933
where:
bonds (distance) C4'-P energy: -23.096
bonds (distance) P-C4' energy: -20.796
flat angles C4'-P-C4' energy: -20.895
flat angles P-C4'-P energy: -12.589
tors. eta vs tors. theta energy: -23.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -289.210715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.210715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.210715 (E_RNA)
where:
Base-Base interactions energy: -184.058
where: short stacking energy: -78.100
Base-Backbone interact. energy: -0.850
local terms energy: -104.302331
where:
bonds (distance) C4'-P energy: -19.700
bonds (distance) P-C4' energy: -23.064
flat angles C4'-P-C4' energy: -26.434
flat angles P-C4'-P energy: -17.547
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: 5, replica: 10
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -273.873220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.873220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.873220 (E_RNA)
where:
Base-Base interactions energy: -171.091
where: short stacking energy: -78.793
Base-Backbone interact. energy: -0.222
local terms energy: -102.559773
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -24.937
flat angles C4'-P-C4' energy: -23.503
flat angles P-C4'-P energy: -13.807
tors. eta vs tors. theta energy: -24.497
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: 8
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -281.070120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.070120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.070120 (E_RNA)
where:
Base-Base interactions energy: -185.058
where: short stacking energy: -80.336
Base-Backbone interact. energy: -0.266
local terms energy: -95.745937
where:
bonds (distance) C4'-P energy: -24.436
bonds (distance) P-C4' energy: -21.717
flat angles C4'-P-C4' energy: -21.422
flat angles P-C4'-P energy: -10.515
tors. eta vs tors. theta energy: -17.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -208.087419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.087419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.087419 (E_RNA)
where:
Base-Base interactions energy: -126.515
where: short stacking energy: -62.544
Base-Backbone interact. energy: -0.999
local terms energy: -80.573676
where:
bonds (distance) C4'-P energy: -23.696
bonds (distance) P-C4' energy: -24.144
flat angles C4'-P-C4' energy: -16.389
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: -6.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -213.799098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.799098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.799098 (E_RNA)
where:
Base-Base interactions energy: -122.919
where: short stacking energy: -62.777
Base-Backbone interact. energy: -0.283
local terms energy: -90.597233
where:
bonds (distance) C4'-P energy: -19.527
bonds (distance) P-C4' energy: -23.310
flat angles C4'-P-C4' energy: -21.741
flat angles P-C4'-P energy: -15.546
tors. eta vs tors. theta energy: -10.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -221.521189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.521189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.521189 (E_RNA)
where:
Base-Base interactions energy: -145.819
where: short stacking energy: -61.304
Base-Backbone interact. energy: -0.620
local terms energy: -75.082354
where:
bonds (distance) C4'-P energy: -22.020
bonds (distance) P-C4' energy: -22.616
flat angles C4'-P-C4' energy: -19.195
flat angles P-C4'-P energy: -6.609
tors. eta vs tors. theta energy: -4.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -112.869339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.869339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.869339 (E_RNA)
where:
Base-Base interactions energy: -40.493
where: short stacking energy: -40.493
Base-Backbone interact. energy: -0.337
local terms energy: -72.039433
where:
bonds (distance) C4'-P energy: -22.541
bonds (distance) P-C4' energy: -22.807
flat angles C4'-P-C4' energy: -9.522
flat angles P-C4'-P energy: -12.689
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: 1, replica: 5
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -376.398518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.398518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.398518 (E_RNA)
where:
Base-Base interactions energy: -254.732
where: short stacking energy: -117.040
Base-Backbone interact. energy: -0.020
local terms energy: -121.646094
where:
bonds (distance) C4'-P energy: -24.693
bonds (distance) P-C4' energy: -21.219
flat angles C4'-P-C4' energy: -26.980
flat angles P-C4'-P energy: -15.178
tors. eta vs tors. theta energy: -33.576
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: 4
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -334.523021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.523021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.523021 (E_RNA)
where:
Base-Base interactions energy: -219.098
where: short stacking energy: -91.440
Base-Backbone interact. energy: -0.496
local terms energy: -114.928493
where:
bonds (distance) C4'-P energy: -23.220
bonds (distance) P-C4' energy: -25.649
flat angles C4'-P-C4' energy: -25.257
flat angles P-C4'-P energy: -12.810
tors. eta vs tors. theta energy: -27.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -326.874417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.874417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.874417 (E_RNA)
where:
Base-Base interactions energy: -215.313
where: short stacking energy: -85.945
Base-Backbone interact. energy: -0.656
local terms energy: -110.905489
where:
bonds (distance) C4'-P energy: -21.426
bonds (distance) P-C4' energy: -23.951
flat angles C4'-P-C4' energy: -24.675
flat angles P-C4'-P energy: -16.556
tors. eta vs tors. theta energy: -24.298
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: 6
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -284.190595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.190595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.190595 (E_RNA)
where:
Base-Base interactions energy: -189.144
where: short stacking energy: -94.122
Base-Backbone interact. energy: -0.199
local terms energy: -94.847657
where:
bonds (distance) C4'-P energy: -21.403
bonds (distance) P-C4' energy: -19.268
flat angles C4'-P-C4' energy: -21.562
flat angles P-C4'-P energy: -15.367
tors. eta vs tors. theta energy: -17.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -272.129879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.129879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.129879 (E_RNA)
where:
Base-Base interactions energy: -177.413
where: short stacking energy: -89.863
Base-Backbone interact. energy: -0.036
local terms energy: -94.680661
where:
bonds (distance) C4'-P energy: -21.154
bonds (distance) P-C4' energy: -20.563
flat angles C4'-P-C4' energy: -14.367
flat angles P-C4'-P energy: -15.012
tors. eta vs tors. theta energy: -23.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -258.197935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.197935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.197935 (E_RNA)
where:
Base-Base interactions energy: -165.123
where: short stacking energy: -80.899
Base-Backbone interact. energy: -0.738
local terms energy: -92.336816
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -24.373
flat angles C4'-P-C4' energy: -21.162
flat angles P-C4'-P energy: -14.281
tors. eta vs tors. theta energy: -18.411
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: 3
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -232.271987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.271987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.271987 (E_RNA)
where:
Base-Base interactions energy: -130.791
where: short stacking energy: -70.854
Base-Backbone interact. energy: -0.613
local terms energy: -100.867529
where:
bonds (distance) C4'-P energy: -26.474
bonds (distance) P-C4' energy: -20.715
flat angles C4'-P-C4' energy: -23.137
flat angles P-C4'-P energy: -20.762
tors. eta vs tors. theta energy: -9.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -232.459548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.459548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.459548 (E_RNA)
where:
Base-Base interactions energy: -134.316
where: short stacking energy: -60.459
Base-Backbone interact. energy: -0.830
local terms energy: -97.313980
where:
bonds (distance) C4'-P energy: -20.487
bonds (distance) P-C4' energy: -22.887
flat angles C4'-P-C4' energy: -22.031
flat angles P-C4'-P energy: -17.846
tors. eta vs tors. theta energy: -14.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -198.621004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.621004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.621004 (E_RNA)
where:
Base-Base interactions energy: -126.430
where: short stacking energy: -65.887
Base-Backbone interact. energy: -0.508
local terms energy: -71.682743
where:
bonds (distance) C4'-P energy: -17.161
bonds (distance) P-C4' energy: -16.689
flat angles C4'-P-C4' energy: -14.214
flat angles P-C4'-P energy: -11.783
tors. eta vs tors. theta energy: -11.836
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: 2
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -97.679464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.679464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.679464 (E_RNA)
where:
Base-Base interactions energy: -34.840
where: short stacking energy: -30.768
Base-Backbone interact. energy: -0.371
local terms energy: -62.467939
where:
bonds (distance) C4'-P energy: -17.722
bonds (distance) P-C4' energy: -21.855
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -6.529
tors. eta vs tors. theta energy: -1.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -366.412182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.412182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.412182 (E_RNA)
where:
Base-Base interactions energy: -248.905
where: short stacking energy: -104.693
Base-Backbone interact. energy: -0.007
local terms energy: -117.500036
where:
bonds (distance) C4'-P energy: -23.004
bonds (distance) P-C4' energy: -25.054
flat angles C4'-P-C4' energy: -25.162
flat angles P-C4'-P energy: -14.800
tors. eta vs tors. theta energy: -29.479
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: 4
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -328.793022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.793022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.793022 (E_RNA)
where:
Base-Base interactions energy: -219.767
where: short stacking energy: -94.904
Base-Backbone interact. energy: -0.177
local terms energy: -108.849881
where:
bonds (distance) C4'-P energy: -18.287
bonds (distance) P-C4' energy: -26.738
flat angles C4'-P-C4' energy: -22.837
flat angles P-C4'-P energy: -12.167
tors. eta vs tors. theta energy: -28.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -323.585916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.585916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.585916 (E_RNA)
where:
Base-Base interactions energy: -226.913
where: short stacking energy: -87.353
Base-Backbone interact. energy: 0.745
local terms energy: -97.417517
where:
bonds (distance) C4'-P energy: -18.546
bonds (distance) P-C4' energy: -17.423
flat angles C4'-P-C4' energy: -21.444
flat angles P-C4'-P energy: -16.286
tors. eta vs tors. theta energy: -23.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -281.841897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.841897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.841897 (E_RNA)
where:
Base-Base interactions energy: -184.220
where: short stacking energy: -93.104
Base-Backbone interact. energy: 0.023
local terms energy: -97.644607
where:
bonds (distance) C4'-P energy: -19.071
bonds (distance) P-C4' energy: -21.069
flat angles C4'-P-C4' energy: -20.455
flat angles P-C4'-P energy: -15.086
tors. eta vs tors. theta energy: -21.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -257.815008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.815008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.815008 (E_RNA)
where:
Base-Base interactions energy: -163.169
where: short stacking energy: -85.068
Base-Backbone interact. energy: -0.734
local terms energy: -93.912951
where:
bonds (distance) C4'-P energy: -20.810
bonds (distance) P-C4' energy: -23.980
flat angles C4'-P-C4' energy: -23.832
flat angles P-C4'-P energy: -5.900
tors. eta vs tors. theta energy: -19.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -254.430416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.430416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.430416 (E_RNA)
where:
Base-Base interactions energy: -155.654
where: short stacking energy: -84.249
Base-Backbone interact. energy: -0.218
local terms energy: -98.558350
where:
bonds (distance) C4'-P energy: -25.057
bonds (distance) P-C4' energy: -23.278
flat angles C4'-P-C4' energy: -21.032
flat angles P-C4'-P energy: -10.100
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: 7, replica: 3
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -242.022869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.022869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.022869 (E_RNA)
where:
Base-Base interactions energy: -152.595
where: short stacking energy: -67.277
Base-Backbone interact. energy: -0.998
local terms energy: -88.429874
where:
bonds (distance) C4'-P energy: -22.445
bonds (distance) P-C4' energy: -21.829
flat angles C4'-P-C4' energy: -22.809
flat angles P-C4'-P energy: -11.962
tors. eta vs tors. theta energy: -9.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -214.399404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.399404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.399404 (E_RNA)
where:
Base-Base interactions energy: -131.868
where: short stacking energy: -62.012
Base-Backbone interact. energy: 0.013
local terms energy: -82.544774
where:
bonds (distance) C4'-P energy: -18.313
bonds (distance) P-C4' energy: -22.464
flat angles C4'-P-C4' energy: -21.651
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: -10.724
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: 7
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -216.905539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.905539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.905539 (E_RNA)
where:
Base-Base interactions energy: -124.367
where: short stacking energy: -60.267
Base-Backbone interact. energy: 0.693
local terms energy: -93.230725
where:
bonds (distance) C4'-P energy: -20.367
bonds (distance) P-C4' energy: -19.910
flat angles C4'-P-C4' energy: -23.255
flat angles P-C4'-P energy: -16.795
tors. eta vs tors. theta energy: -12.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -152.328061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.328061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.328061 (E_RNA)
where:
Base-Base interactions energy: -67.897
where: short stacking energy: -42.332
Base-Backbone interact. energy: -0.370
local terms energy: -84.060767
where:
bonds (distance) C4'-P energy: -21.808
bonds (distance) P-C4' energy: -22.614
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -15.214
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: 1, replica: 5
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -373.515007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.515007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.515007 (E_RNA)
where:
Base-Base interactions energy: -251.847
where: short stacking energy: -108.088
Base-Backbone interact. energy: -0.398
local terms energy: -121.269133
where:
bonds (distance) C4'-P energy: -21.502
bonds (distance) P-C4' energy: -26.078
flat angles C4'-P-C4' energy: -23.408
flat angles P-C4'-P energy: -17.424
tors. eta vs tors. theta energy: -32.856
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: 4
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -346.372848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.372848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.372848 (E_RNA)
where:
Base-Base interactions energy: -236.409
where: short stacking energy: -109.032
Base-Backbone interact. energy: -1.272
local terms energy: -108.692052
where:
bonds (distance) C4'-P energy: -18.885
bonds (distance) P-C4' energy: -21.618
flat angles C4'-P-C4' energy: -20.376
flat angles P-C4'-P energy: -15.842
tors. eta vs tors. theta energy: -31.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -313.681628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.681628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.681628 (E_RNA)
where:
Base-Base interactions energy: -210.463
where: short stacking energy: -84.136
Base-Backbone interact. energy: -1.183
local terms energy: -102.035638
where:
bonds (distance) C4'-P energy: -20.930
bonds (distance) P-C4' energy: -23.884
flat angles C4'-P-C4' energy: -19.369
flat angles P-C4'-P energy: -15.801
tors. eta vs tors. theta energy: -22.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -285.738301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.738301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.738301 (E_RNA)
where:
Base-Base interactions energy: -190.947
where: short stacking energy: -93.985
Base-Backbone interact. energy: -0.139
local terms energy: -94.651450
where:
bonds (distance) C4'-P energy: -23.341
bonds (distance) P-C4' energy: -22.411
flat angles C4'-P-C4' energy: -17.731
flat angles P-C4'-P energy: -9.874
tors. eta vs tors. theta energy: -21.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -286.407816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.407816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.407816 (E_RNA)
where:
Base-Base interactions energy: -193.552
where: short stacking energy: -76.496
Base-Backbone interact. energy: -0.107
local terms energy: -92.748790
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -23.043
flat angles C4'-P-C4' energy: -16.695
flat angles P-C4'-P energy: -14.618
tors. eta vs tors. theta energy: -22.846
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: 3
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -252.449447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.449447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.449447 (E_RNA)
where:
Base-Base interactions energy: -162.117
where: short stacking energy: -72.752
Base-Backbone interact. energy: -0.368
local terms energy: -89.963920
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -21.845
flat angles C4'-P-C4' energy: -19.755
flat angles P-C4'-P energy: -12.656
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: 7, replica: 8
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -262.728054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.728054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.728054 (E_RNA)
where:
Base-Base interactions energy: -172.776
where: short stacking energy: -79.638
Base-Backbone interact. energy: -0.524
local terms energy: -89.428202
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -22.385
flat angles C4'-P-C4' energy: -23.910
flat angles P-C4'-P energy: -9.106
tors. eta vs tors. theta energy: -18.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -212.912705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.912705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.912705 (E_RNA)
where:
Base-Base interactions energy: -132.976
where: short stacking energy: -58.694
Base-Backbone interact. energy: -1.175
local terms energy: -78.761258
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -19.496
flat angles C4'-P-C4' energy: -19.370
flat angles P-C4'-P energy: -15.255
tors. eta vs tors. theta energy: -11.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -206.532372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.532372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.532372 (E_RNA)
where:
Base-Base interactions energy: -131.861
where: short stacking energy: -63.382
Base-Backbone interact. energy: -0.023
local terms energy: -74.648367
where:
bonds (distance) C4'-P energy: -19.437
bonds (distance) P-C4' energy: -15.556
flat angles C4'-P-C4' energy: -18.701
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: -11.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -137.879699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.879699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.879699 (E_RNA)
where:
Base-Base interactions energy: -66.384
where: short stacking energy: -34.005
Base-Backbone interact. energy: -0.178
local terms energy: -71.317692
where:
bonds (distance) C4'-P energy: -17.536
bonds (distance) P-C4' energy: -19.413
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -9.185
tors. eta vs tors. theta energy: -9.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -354.028657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.028657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.028657 (E_RNA)
where:
Base-Base interactions energy: -238.845
where: short stacking energy: -106.544
Base-Backbone interact. energy: -0.581
local terms energy: -114.603001
where:
bonds (distance) C4'-P energy: -24.784
bonds (distance) P-C4' energy: -24.433
flat angles C4'-P-C4' energy: -22.734
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: -30.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -360.892556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.892556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.892556 (E_RNA)
where:
Base-Base interactions energy: -252.166
where: short stacking energy: -114.805
Base-Backbone interact. energy: -0.045
local terms energy: -108.681684
where:
bonds (distance) C4'-P energy: -17.165
bonds (distance) P-C4' energy: -19.756
flat angles C4'-P-C4' energy: -23.545
flat angles P-C4'-P energy: -16.310
tors. eta vs tors. theta energy: -31.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -308.917934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.917934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.917934 (E_RNA)
where:
Base-Base interactions energy: -204.729
where: short stacking energy: -87.494
Base-Backbone interact. energy: -0.557
local terms energy: -103.631101
where:
bonds (distance) C4'-P energy: -20.768
bonds (distance) P-C4' energy: -22.781
flat angles C4'-P-C4' energy: -23.192
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -26.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -296.072997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.072997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.072997 (E_RNA)
where:
Base-Base interactions energy: -191.248
where: short stacking energy: -89.174
Base-Backbone interact. energy: 0.157
local terms energy: -104.981174
where:
bonds (distance) C4'-P energy: -16.259
bonds (distance) P-C4' energy: -24.092
flat angles C4'-P-C4' energy: -24.066
flat angles P-C4'-P energy: -16.541
tors. eta vs tors. theta energy: -24.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -241.783233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.783233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.783233 (E_RNA)
where:
Base-Base interactions energy: -157.758
where: short stacking energy: -80.196
Base-Backbone interact. energy: -0.922
local terms energy: -83.102671
where:
bonds (distance) C4'-P energy: -15.839
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -17.452
flat angles P-C4'-P energy: -18.091
tors. eta vs tors. theta energy: -15.113
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: 6, replica: 6
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -274.210194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.210194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.210194 (E_RNA)
where:
Base-Base interactions energy: -181.679
where: short stacking energy: -77.240
Base-Backbone interact. energy: -1.307
local terms energy: -91.224892
where:
bonds (distance) C4'-P energy: -21.182
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -19.840
flat angles P-C4'-P energy: -17.521
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: 7, replica: 8
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -236.339459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.339459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.339459 (E_RNA)
where:
Base-Base interactions energy: -148.024
where: short stacking energy: -60.867
Base-Backbone interact. energy: -0.782
local terms energy: -87.532696
where:
bonds (distance) C4'-P energy: -19.571
bonds (distance) P-C4' energy: -20.880
flat angles C4'-P-C4' energy: -20.606
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: -15.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -208.778721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.778721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.778721 (E_RNA)
where:
Base-Base interactions energy: -124.884
where: short stacking energy: -62.337
Base-Backbone interact. energy: -1.084
local terms energy: -82.809934
where:
bonds (distance) C4'-P energy: -22.190
bonds (distance) P-C4' energy: -20.839
flat angles C4'-P-C4' energy: -19.101
flat angles P-C4'-P energy: -13.931
tors. eta vs tors. theta energy: -6.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -197.860128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.860128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.860128 (E_RNA)
where:
Base-Base interactions energy: -108.717
where: short stacking energy: -52.527
Base-Backbone interact. energy: 0.068
local terms energy: -89.211452
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -22.824
flat angles C4'-P-C4' energy: -24.955
flat angles P-C4'-P energy: -14.095
tors. eta vs tors. theta energy: -11.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -121.257889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.257889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.257889 (E_RNA)
where:
Base-Base interactions energy: -46.652
where: short stacking energy: -38.030
Base-Backbone interact. energy: -1.176
local terms energy: -73.429811
where:
bonds (distance) C4'-P energy: -18.460
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -20.167
flat angles P-C4'-P energy: -16.138
tors. eta vs tors. theta energy: -1.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -348.795812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.795812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.795812 (E_RNA)
where:
Base-Base interactions energy: -237.550
where: short stacking energy: -108.699
Base-Backbone interact. energy: 3.194
local terms energy: -114.439324
where:
bonds (distance) C4'-P energy: -24.684
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -26.502
flat angles P-C4'-P energy: -18.965
tors. eta vs tors. theta energy: -26.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -350.596026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.596026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.596026 (E_RNA)
where:
Base-Base interactions energy: -237.341
where: short stacking energy: -101.376
Base-Backbone interact. energy: -0.007
local terms energy: -113.248158
where:
bonds (distance) C4'-P energy: -22.935
bonds (distance) P-C4' energy: -23.016
flat angles C4'-P-C4' energy: -19.837
flat angles P-C4'-P energy: -14.606
tors. eta vs tors. theta energy: -32.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -315.568036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.568036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.568036 (E_RNA)
where:
Base-Base interactions energy: -208.229
where: short stacking energy: -93.990
Base-Backbone interact. energy: -1.068
local terms energy: -106.271424
where:
bonds (distance) C4'-P energy: -22.321
bonds (distance) P-C4' energy: -22.010
flat angles C4'-P-C4' energy: -21.234
flat angles P-C4'-P energy: -16.138
tors. eta vs tors. theta energy: -24.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -301.660656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.660656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.660656 (E_RNA)
where:
Base-Base interactions energy: -212.604
where: short stacking energy: -85.338
Base-Backbone interact. energy: -1.901
local terms energy: -87.155289
where:
bonds (distance) C4'-P energy: -13.815
bonds (distance) P-C4' energy: -17.684
flat angles C4'-P-C4' energy: -22.313
flat angles P-C4'-P energy: -14.406
tors. eta vs tors. theta energy: -18.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -229.864551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.864551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.864551 (E_RNA)
where:
Base-Base interactions energy: -142.261
where: short stacking energy: -54.651
Base-Backbone interact. energy: -1.214
local terms energy: -86.389641
where:
bonds (distance) C4'-P energy: -18.020
bonds (distance) P-C4' energy: -23.377
flat angles C4'-P-C4' energy: -19.097
flat angles P-C4'-P energy: -15.872
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: 6, replica: 6
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -272.130938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.130938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.130938 (E_RNA)
where:
Base-Base interactions energy: -175.403
where: short stacking energy: -89.389
Base-Backbone interact. energy: 0.270
local terms energy: -96.998146
where:
bonds (distance) C4'-P energy: -18.798
bonds (distance) P-C4' energy: -21.028
flat angles C4'-P-C4' energy: -19.226
flat angles P-C4'-P energy: -15.123
tors. eta vs tors. theta energy: -22.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -273.532724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.532724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.532724 (E_RNA)
where:
Base-Base interactions energy: -172.727
where: short stacking energy: -82.100
Base-Backbone interact. energy: -0.075
local terms energy: -100.729968
where:
bonds (distance) C4'-P energy: -18.856
bonds (distance) P-C4' energy: -24.064
flat angles C4'-P-C4' energy: -20.447
flat angles P-C4'-P energy: -14.554
tors. eta vs tors. theta energy: -22.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -207.515690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.515690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.515690 (E_RNA)
where:
Base-Base interactions energy: -131.032
where: short stacking energy: -57.451
Base-Backbone interact. energy: 1.138
local terms energy: -77.622385
where:
bonds (distance) C4'-P energy: -21.057
bonds (distance) P-C4' energy: -19.078
flat angles C4'-P-C4' energy: -18.414
flat angles P-C4'-P energy: -8.031
tors. eta vs tors. theta energy: -11.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -211.803212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.803212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.803212 (E_RNA)
where:
Base-Base interactions energy: -138.389
where: short stacking energy: -60.190
Base-Backbone interact. energy: -0.427
local terms energy: -72.987264
where:
bonds (distance) C4'-P energy: -14.262
bonds (distance) P-C4' energy: -16.714
flat angles C4'-P-C4' energy: -17.832
flat angles P-C4'-P energy: -16.496
tors. eta vs tors. theta energy: -7.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -109.572902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.572902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.572902 (E_RNA)
where:
Base-Base interactions energy: -39.823
where: short stacking energy: -36.813
Base-Backbone interact. energy: -0.057
local terms energy: -69.692312
where:
bonds (distance) C4'-P energy: -18.762
bonds (distance) P-C4' energy: -20.015
flat angles C4'-P-C4' energy: -18.578
flat angles P-C4'-P energy: -11.715
tors. eta vs tors. theta energy: -0.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -355.069983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.069983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.069983 (E_RNA)
where:
Base-Base interactions energy: -240.416
where: short stacking energy: -111.010
Base-Backbone interact. energy: 0.019
local terms energy: -114.673030
where:
bonds (distance) C4'-P energy: -22.532
bonds (distance) P-C4' energy: -22.035
flat angles C4'-P-C4' energy: -25.494
flat angles P-C4'-P energy: -15.958
tors. eta vs tors. theta energy: -28.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -347.687355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.687355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.687355 (E_RNA)
where:
Base-Base interactions energy: -236.539
where: short stacking energy: -95.766
Base-Backbone interact. energy: -0.112
local terms energy: -111.036406
where:
bonds (distance) C4'-P energy: -21.201
bonds (distance) P-C4' energy: -22.883
flat angles C4'-P-C4' energy: -21.888
flat angles P-C4'-P energy: -15.986
tors. eta vs tors. theta energy: -29.078
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: 10
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -299.117977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.117977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.117977 (E_RNA)
where:
Base-Base interactions energy: -200.901
where: short stacking energy: -78.258
Base-Backbone interact. energy: -0.841
local terms energy: -97.375389
where:
bonds (distance) C4'-P energy: -25.506
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -28.697
flat angles P-C4'-P energy: -15.539
tors. eta vs tors. theta energy: -12.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -315.996078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.996078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.996078 (E_RNA)
where:
Base-Base interactions energy: -210.613
where: short stacking energy: -91.025
Base-Backbone interact. energy: 0.423
local terms energy: -105.806601
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -23.914
flat angles P-C4'-P energy: -18.383
tors. eta vs tors. theta energy: -28.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -279.015590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.015590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.015590 (E_RNA)
where:
Base-Base interactions energy: -174.584
where: short stacking energy: -83.653
Base-Backbone interact. energy: 1.857
local terms energy: -106.288795
where:
bonds (distance) C4'-P energy: -23.713
bonds (distance) P-C4' energy: -26.427
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -17.173
tors. eta vs tors. theta energy: -22.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -250.362992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.362992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.362992 (E_RNA)
where:
Base-Base interactions energy: -171.987
where: short stacking energy: -70.252
Base-Backbone interact. energy: -1.099
local terms energy: -77.276682
where:
bonds (distance) C4'-P energy: -22.390
bonds (distance) P-C4' energy: -22.457
flat angles C4'-P-C4' energy: -16.063
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: -6.756
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: 8
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -257.153496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.153496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.153496 (E_RNA)
where:
Base-Base interactions energy: -171.796
where: short stacking energy: -64.720
Base-Backbone interact. energy: -0.234
local terms energy: -85.123004
where:
bonds (distance) C4'-P energy: -23.237
bonds (distance) P-C4' energy: -18.101
flat angles C4'-P-C4' energy: -16.221
flat angles P-C4'-P energy: -15.302
tors. eta vs tors. theta energy: -12.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -227.761161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.761161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.761161 (E_RNA)
where:
Base-Base interactions energy: -140.769
where: short stacking energy: -62.794
Base-Backbone interact. energy: -1.080
local terms energy: -85.911626
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -19.201
flat angles C4'-P-C4' energy: -22.843
flat angles P-C4'-P energy: -17.604
tors. eta vs tors. theta energy: -10.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -183.471390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.471390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.471390 (E_RNA)
where:
Base-Base interactions energy: -110.091
where: short stacking energy: -52.749
Base-Backbone interact. energy: -0.346
local terms energy: -73.034400
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -23.291
flat angles C4'-P-C4' energy: -15.808
flat angles P-C4'-P energy: -8.170
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: 10, replica: 2
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -116.368150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.368150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.368150 (E_RNA)
where:
Base-Base interactions energy: -45.534
where: short stacking energy: -42.047
Base-Backbone interact. energy: -0.374
local terms energy: -70.459571
where:
bonds (distance) C4'-P energy: -19.170
bonds (distance) P-C4' energy: -24.686
flat angles C4'-P-C4' energy: -11.972
flat angles P-C4'-P energy: -11.640
tors. eta vs tors. theta energy: -2.991
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: 4
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -352.277532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.277532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.277532 (E_RNA)
where:
Base-Base interactions energy: -238.617
where: short stacking energy: -105.780
Base-Backbone interact. energy: -0.213
local terms energy: -113.446709
where:
bonds (distance) C4'-P energy: -19.735
bonds (distance) P-C4' energy: -22.644
flat angles C4'-P-C4' energy: -25.238
flat angles P-C4'-P energy: -15.544
tors. eta vs tors. theta energy: -30.287
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: 5
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -365.056387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.056387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.056387 (E_RNA)
where:
Base-Base interactions energy: -252.180
where: short stacking energy: -111.663
Base-Backbone interact. energy: -0.039
local terms energy: -112.837965
where:
bonds (distance) C4'-P energy: -21.855
bonds (distance) P-C4' energy: -22.537
flat angles C4'-P-C4' energy: -19.083
flat angles P-C4'-P energy: -15.582
tors. eta vs tors. theta energy: -33.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -289.009496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.009496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.009496 (E_RNA)
where:
Base-Base interactions energy: -184.406
where: short stacking energy: -74.646
Base-Backbone interact. energy: -0.286
local terms energy: -104.317356
where:
bonds (distance) C4'-P energy: -21.729
bonds (distance) P-C4' energy: -25.826
flat angles C4'-P-C4' energy: -21.848
flat angles P-C4'-P energy: -15.094
tors. eta vs tors. theta energy: -19.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -305.902506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.902506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.902506 (E_RNA)
where:
Base-Base interactions energy: -208.883
where: short stacking energy: -68.503
Base-Backbone interact. energy: -0.876
local terms energy: -96.143605
where:
bonds (distance) C4'-P energy: -23.588
bonds (distance) P-C4' energy: -19.092
flat angles C4'-P-C4' energy: -22.707
flat angles P-C4'-P energy: -14.805
tors. eta vs tors. theta energy: -15.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -260.922705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.922705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.922705 (E_RNA)
where:
Base-Base interactions energy: -173.619
where: short stacking energy: -80.153
Base-Backbone interact. energy: -0.480
local terms energy: -86.823413
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -21.830
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -13.857
tors. eta vs tors. theta energy: -22.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -263.379009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.379009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.379009 (E_RNA)
where:
Base-Base interactions energy: -164.752
where: short stacking energy: -64.105
Base-Backbone interact. energy: -0.498
local terms energy: -98.128730
where:
bonds (distance) C4'-P energy: -21.519
bonds (distance) P-C4' energy: -23.464
flat angles C4'-P-C4' energy: -22.323
flat angles P-C4'-P energy: -19.563
tors. eta vs tors. theta energy: -11.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -252.774455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.774455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.774455 (E_RNA)
where:
Base-Base interactions energy: -163.849
where: short stacking energy: -70.283
Base-Backbone interact. energy: -0.187
local terms energy: -88.738315
where:
bonds (distance) C4'-P energy: -21.797
bonds (distance) P-C4' energy: -17.167
flat angles C4'-P-C4' energy: -21.634
flat angles P-C4'-P energy: -14.180
tors. eta vs tors. theta energy: -13.961
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: 7
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -214.445936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.445936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.445936 (E_RNA)
where:
Base-Base interactions energy: -133.624
where: short stacking energy: -68.415
Base-Backbone interact. energy: -0.148
local terms energy: -80.674247
where:
bonds (distance) C4'-P energy: -18.935
bonds (distance) P-C4' energy: -19.681
flat angles C4'-P-C4' energy: -17.150
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: -14.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -206.939178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.939178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.939178 (E_RNA)
where:
Base-Base interactions energy: -119.501
where: short stacking energy: -51.759
Base-Backbone interact. energy: 0.226
local terms energy: -87.664420
where:
bonds (distance) C4'-P energy: -14.580
bonds (distance) P-C4' energy: -25.141
flat angles C4'-P-C4' energy: -21.463
flat angles P-C4'-P energy: -14.335
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: 10, replica: 2
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -119.117649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.117649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.117649 (E_RNA)
where:
Base-Base interactions energy: -38.307
where: short stacking energy: -35.683
Base-Backbone interact. energy: -0.963
local terms energy: -79.847523
where:
bonds (distance) C4'-P energy: -22.975
bonds (distance) P-C4' energy: -23.760
flat angles C4'-P-C4' energy: -25.546
flat angles P-C4'-P energy: -4.832
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: 4
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -360.762417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.762417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.762417 (E_RNA)
where:
Base-Base interactions energy: -242.767
where: short stacking energy: -114.770
Base-Backbone interact. energy: -0.528
local terms energy: -117.467439
where:
bonds (distance) C4'-P energy: -23.274
bonds (distance) P-C4' energy: -22.128
flat angles C4'-P-C4' energy: -26.369
flat angles P-C4'-P energy: -18.357
tors. eta vs tors. theta energy: -27.339
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: 336
Temperature: 0.950000
Total energy: -361.114394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.114394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.114394 (E_RNA)
where:
Base-Base interactions energy: -243.092
where: short stacking energy: -108.057
Base-Backbone interact. energy: -0.015
local terms energy: -118.007861
where:
bonds (distance) C4'-P energy: -18.366
bonds (distance) P-C4' energy: -21.715
flat angles C4'-P-C4' energy: -25.861
flat angles P-C4'-P energy: -17.080
tors. eta vs tors. theta energy: -34.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -329.735809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.735809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.735809 (E_RNA)
where:
Base-Base interactions energy: -224.665
where: short stacking energy: -101.407
Base-Backbone interact. energy: -0.177
local terms energy: -104.893941
where:
bonds (distance) C4'-P energy: -17.758
bonds (distance) P-C4' energy: -21.840
flat angles C4'-P-C4' energy: -21.141
flat angles P-C4'-P energy: -17.381
tors. eta vs tors. theta energy: -26.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -304.809593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.809593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.809593 (E_RNA)
where:
Base-Base interactions energy: -197.813
where: short stacking energy: -91.934
Base-Backbone interact. energy: -0.210
local terms energy: -106.786897
where:
bonds (distance) C4'-P energy: -23.542
bonds (distance) P-C4' energy: -21.561
flat angles C4'-P-C4' energy: -19.253
flat angles P-C4'-P energy: -14.401
tors. eta vs tors. theta energy: -28.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -270.171832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.171832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.171832 (E_RNA)
where:
Base-Base interactions energy: -160.226
where: short stacking energy: -80.732
Base-Backbone interact. energy: 0.646
local terms energy: -110.591541
where:
bonds (distance) C4'-P energy: -27.012
bonds (distance) P-C4' energy: -22.811
flat angles C4'-P-C4' energy: -21.757
flat angles P-C4'-P energy: -17.084
tors. eta vs tors. theta energy: -21.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -275.707941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.707941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.707941 (E_RNA)
where:
Base-Base interactions energy: -174.827
where: short stacking energy: -83.350
Base-Backbone interact. energy: -0.151
local terms energy: -100.729515
where:
bonds (distance) C4'-P energy: -19.110
bonds (distance) P-C4' energy: -21.183
flat angles C4'-P-C4' energy: -19.060
flat angles P-C4'-P energy: -15.213
tors. eta vs tors. theta energy: -26.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -264.517451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.517451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.517451 (E_RNA)
where:
Base-Base interactions energy: -172.566
where: short stacking energy: -83.373
Base-Backbone interact. energy: -0.442
local terms energy: -91.509669
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -18.442
flat angles C4'-P-C4' energy: -23.060
flat angles P-C4'-P energy: -16.009
tors. eta vs tors. theta energy: -18.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -216.675267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.675267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.675267 (E_RNA)
where:
Base-Base interactions energy: -133.698
where: short stacking energy: -57.798
Base-Backbone interact. energy: -0.405
local terms energy: -82.572469
where:
bonds (distance) C4'-P energy: -21.497
bonds (distance) P-C4' energy: -20.229
flat angles C4'-P-C4' energy: -23.013
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -5.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -233.998800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.998800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.998800 (E_RNA)
where:
Base-Base interactions energy: -143.945
where: short stacking energy: -62.198
Base-Backbone interact. energy: -0.408
local terms energy: -89.645935
where:
bonds (distance) C4'-P energy: -21.593
bonds (distance) P-C4' energy: -19.105
flat angles C4'-P-C4' energy: -21.156
flat angles P-C4'-P energy: -14.461
tors. eta vs tors. theta energy: -13.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -106.740187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.740187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.740187 (E_RNA)
where:
Base-Base interactions energy: -40.450
where: short stacking energy: -20.295
Base-Backbone interact. energy: -0.562
local terms energy: -65.728698
where:
bonds (distance) C4'-P energy: -23.861
bonds (distance) P-C4' energy: -24.641
flat angles C4'-P-C4' energy: -12.548
flat angles P-C4'-P energy: -10.442
tors. eta vs tors. theta energy: 5.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -360.964775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.964775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.964775 (E_RNA)
where:
Base-Base interactions energy: -243.232
where: short stacking energy: -114.565
Base-Backbone interact. energy: -1.468
local terms energy: -116.264831
where:
bonds (distance) C4'-P energy: -18.923
bonds (distance) P-C4' energy: -27.021
flat angles C4'-P-C4' energy: -24.659
flat angles P-C4'-P energy: -14.487
tors. eta vs tors. theta energy: -31.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -366.191163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.191163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.191163 (E_RNA)
where:
Base-Base interactions energy: -252.201
where: short stacking energy: -104.850
Base-Backbone interact. energy: -0.021
local terms energy: -113.969106
where:
bonds (distance) C4'-P energy: -24.087
bonds (distance) P-C4' energy: -19.291
flat angles C4'-P-C4' energy: -21.543
flat angles P-C4'-P energy: -17.591
tors. eta vs tors. theta energy: -31.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -300.434507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.434507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.434507 (E_RNA)
where:
Base-Base interactions energy: -191.645
where: short stacking energy: -97.500
Base-Backbone interact. energy: -0.840
local terms energy: -107.950062
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -21.091
flat angles C4'-P-C4' energy: -27.379
flat angles P-C4'-P energy: -17.160
tors. eta vs tors. theta energy: -26.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -281.107812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.107812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.107812 (E_RNA)
where:
Base-Base interactions energy: -180.252
where: short stacking energy: -79.638
Base-Backbone interact. energy: -0.268
local terms energy: -100.587924
where:
bonds (distance) C4'-P energy: -22.151
bonds (distance) P-C4' energy: -18.614
flat angles C4'-P-C4' energy: -26.597
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -21.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -276.151269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.151269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.151269 (E_RNA)
where:
Base-Base interactions energy: -177.291
where: short stacking energy: -80.618
Base-Backbone interact. energy: 0.127
local terms energy: -98.987244
where:
bonds (distance) C4'-P energy: -22.571
bonds (distance) P-C4' energy: -20.527
flat angles C4'-P-C4' energy: -20.018
flat angles P-C4'-P energy: -16.621
tors. eta vs tors. theta energy: -19.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -252.005521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.005521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.005521 (E_RNA)
where:
Base-Base interactions energy: -162.750
where: short stacking energy: -67.969
Base-Backbone interact. energy: -0.976
local terms energy: -88.279414
where:
bonds (distance) C4'-P energy: -17.052
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -15.804
flat angles P-C4'-P energy: -17.771
tors. eta vs tors. theta energy: -21.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -272.757053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.757053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.757053 (E_RNA)
where:
Base-Base interactions energy: -182.755
where: short stacking energy: -71.663
Base-Backbone interact. energy: -0.408
local terms energy: -89.594673
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -24.953
flat angles C4'-P-C4' energy: -22.902
flat angles P-C4'-P energy: -12.360
tors. eta vs tors. theta energy: -17.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -250.560131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.560131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.560131 (E_RNA)
where:
Base-Base interactions energy: -161.524
where: short stacking energy: -69.722
Base-Backbone interact. energy: -0.992
local terms energy: -88.043890
where:
bonds (distance) C4'-P energy: -18.653
bonds (distance) P-C4' energy: -22.288
flat angles C4'-P-C4' energy: -17.844
flat angles P-C4'-P energy: -14.409
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: 9, replica: 7
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -219.298156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.298156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.298156 (E_RNA)
where:
Base-Base interactions energy: -132.150
where: short stacking energy: -64.799
Base-Backbone interact. energy: -0.040
local terms energy: -87.108013
where:
bonds (distance) C4'-P energy: -17.495
bonds (distance) P-C4' energy: -22.875
flat angles C4'-P-C4' energy: -22.553
flat angles P-C4'-P energy: -10.045
tors. eta vs tors. theta energy: -14.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -122.946990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.946990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.946990 (E_RNA)
where:
Base-Base interactions energy: -47.100
where: short stacking energy: -37.470
Base-Backbone interact. energy: -0.278
local terms energy: -75.569057
where:
bonds (distance) C4'-P energy: -18.514
bonds (distance) P-C4' energy: -24.262
flat angles C4'-P-C4' energy: -20.336
flat angles P-C4'-P energy: -11.958
tors. eta vs tors. theta energy: -0.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -351.764153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.764153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.764153 (E_RNA)
where:
Base-Base interactions energy: -240.966
where: short stacking energy: -100.333
Base-Backbone interact. energy: 0.128
local terms energy: -110.926593
where:
bonds (distance) C4'-P energy: -19.932
bonds (distance) P-C4' energy: -23.635
flat angles C4'-P-C4' energy: -24.462
flat angles P-C4'-P energy: -18.518
tors. eta vs tors. theta energy: -24.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -364.950177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.950177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.950177 (E_RNA)
where:
Base-Base interactions energy: -253.686
where: short stacking energy: -109.709
Base-Backbone interact. energy: -0.121
local terms energy: -111.143546
where:
bonds (distance) C4'-P energy: -21.451
bonds (distance) P-C4' energy: -20.242
flat angles C4'-P-C4' energy: -21.214
flat angles P-C4'-P energy: -17.613
tors. eta vs tors. theta energy: -30.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -292.863247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.863247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.863247 (E_RNA)
where:
Base-Base interactions energy: -189.735
where: short stacking energy: -82.954
Base-Backbone interact. energy: -1.136
local terms energy: -101.991760
where:
bonds (distance) C4'-P energy: -19.435
bonds (distance) P-C4' energy: -22.360
flat angles C4'-P-C4' energy: -22.720
flat angles P-C4'-P energy: -17.857
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: 4, replica: 9
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -286.461320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.461320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.461320 (E_RNA)
where:
Base-Base interactions energy: -177.468
where: short stacking energy: -80.041
Base-Backbone interact. energy: -0.905
local terms energy: -108.088977
where:
bonds (distance) C4'-P energy: -25.845
bonds (distance) P-C4' energy: -23.567
flat angles C4'-P-C4' energy: -24.347
flat angles P-C4'-P energy: -18.280
tors. eta vs tors. theta energy: -16.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -288.020550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.020550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.020550 (E_RNA)
where:
Base-Base interactions energy: -182.110
where: short stacking energy: -95.651
Base-Backbone interact. energy: -0.016
local terms energy: -105.895089
where:
bonds (distance) C4'-P energy: -21.366
bonds (distance) P-C4' energy: -22.016
flat angles C4'-P-C4' energy: -26.134
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -25.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -274.426232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.426232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.426232 (E_RNA)
where:
Base-Base interactions energy: -185.354
where: short stacking energy: -74.057
Base-Backbone interact. energy: -0.309
local terms energy: -88.763447
where:
bonds (distance) C4'-P energy: -17.320
bonds (distance) P-C4' energy: -24.621
flat angles C4'-P-C4' energy: -20.725
flat angles P-C4'-P energy: -12.090
tors. eta vs tors. theta energy: -14.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -232.832200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.832200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.832200 (E_RNA)
where:
Base-Base interactions energy: -145.623
where: short stacking energy: -58.583
Base-Backbone interact. energy: -0.330
local terms energy: -86.879505
where:
bonds (distance) C4'-P energy: -20.675
bonds (distance) P-C4' energy: -21.007
flat angles C4'-P-C4' energy: -18.486
flat angles P-C4'-P energy: -12.653
tors. eta vs tors. theta energy: -14.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -248.811081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.811081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.811081 (E_RNA)
where:
Base-Base interactions energy: -155.634
where: short stacking energy: -68.823
Base-Backbone interact. energy: -0.048
local terms energy: -93.128848
where:
bonds (distance) C4'-P energy: -19.372
bonds (distance) P-C4' energy: -23.713
flat angles C4'-P-C4' energy: -16.577
flat angles P-C4'-P energy: -10.516
tors. eta vs tors. theta energy: -22.951
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: 7
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -222.015771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.015771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.015771 (E_RNA)
where:
Base-Base interactions energy: -147.011
where: short stacking energy: -61.635
Base-Backbone interact. energy: -0.782
local terms energy: -74.223189
where:
bonds (distance) C4'-P energy: -16.894
bonds (distance) P-C4' energy: -18.494
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -14.976
tors. eta vs tors. theta energy: -9.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -98.474193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.474193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.474193 (E_RNA)
where:
Base-Base interactions energy: -40.918
where: short stacking energy: -25.381
Base-Backbone interact. energy: 0.695
local terms energy: -58.251189
where:
bonds (distance) C4'-P energy: -21.384
bonds (distance) P-C4' energy: -21.102
flat angles C4'-P-C4' energy: -11.767
flat angles P-C4'-P energy: -1.524
tors. eta vs tors. theta energy: -2.474
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: 4
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -348.022568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.022568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.022568 (E_RNA)
where:
Base-Base interactions energy: -230.126
where: short stacking energy: -102.077
Base-Backbone interact. energy: -0.201
local terms energy: -117.694835
where:
bonds (distance) C4'-P energy: -21.085
bonds (distance) P-C4' energy: -25.484
flat angles C4'-P-C4' energy: -22.249
flat angles P-C4'-P energy: -17.639
tors. eta vs tors. theta energy: -31.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -363.024860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.024860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.024860 (E_RNA)
where:
Base-Base interactions energy: -252.480
where: short stacking energy: -103.044
Base-Backbone interact. energy: -0.077
local terms energy: -110.467570
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -24.461
flat angles C4'-P-C4' energy: -25.835
flat angles P-C4'-P energy: -13.131
tors. eta vs tors. theta energy: -33.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -284.016490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.016490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.016490 (E_RNA)
where:
Base-Base interactions energy: -180.515
where: short stacking energy: -83.743
Base-Backbone interact. energy: -0.078
local terms energy: -103.423812
where:
bonds (distance) C4'-P energy: -19.564
bonds (distance) P-C4' energy: -28.461
flat angles C4'-P-C4' energy: -18.199
flat angles P-C4'-P energy: -14.261
tors. eta vs tors. theta energy: -22.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -276.002588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.002588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.002588 (E_RNA)
where:
Base-Base interactions energy: -177.211
where: short stacking energy: -78.518
Base-Backbone interact. energy: -0.696
local terms energy: -98.096279
where:
bonds (distance) C4'-P energy: -22.145
bonds (distance) P-C4' energy: -22.949
flat angles C4'-P-C4' energy: -18.532
flat angles P-C4'-P energy: -18.745
tors. eta vs tors. theta energy: -15.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -289.838465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.838465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.838465 (E_RNA)
where:
Base-Base interactions energy: -180.603
where: short stacking energy: -95.074
Base-Backbone interact. energy: -0.026
local terms energy: -109.208690
where:
bonds (distance) C4'-P energy: -22.954
bonds (distance) P-C4' energy: -18.256
flat angles C4'-P-C4' energy: -21.197
flat angles P-C4'-P energy: -18.915
tors. eta vs tors. theta energy: -27.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -266.674526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.674526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.674526 (E_RNA)
where:
Base-Base interactions energy: -163.392
where: short stacking energy: -81.697
Base-Backbone interact. energy: -0.246
local terms energy: -103.036491
where:
bonds (distance) C4'-P energy: -20.466
bonds (distance) P-C4' energy: -18.988
flat angles C4'-P-C4' energy: -23.524
flat angles P-C4'-P energy: -16.536
tors. eta vs tors. theta energy: -23.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -211.760218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.760218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.760218 (E_RNA)
where:
Base-Base interactions energy: -125.907
where: short stacking energy: -59.244
Base-Backbone interact. energy: -1.193
local terms energy: -84.659773
where:
bonds (distance) C4'-P energy: -22.868
bonds (distance) P-C4' energy: -18.563
flat angles C4'-P-C4' energy: -23.410
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: -10.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -238.411407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.411407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.411407 (E_RNA)
where:
Base-Base interactions energy: -159.107
where: short stacking energy: -67.803
Base-Backbone interact. energy: -0.272
local terms energy: -79.032316
where:
bonds (distance) C4'-P energy: -17.210
bonds (distance) P-C4' energy: -16.087
flat angles C4'-P-C4' energy: -21.884
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -14.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -195.878948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.878948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.878948 (E_RNA)
where:
Base-Base interactions energy: -115.152
where: short stacking energy: -60.463
Base-Backbone interact. energy: -0.345
local terms energy: -80.381418
where:
bonds (distance) C4'-P energy: -21.275
bonds (distance) P-C4' energy: -17.928
flat angles C4'-P-C4' energy: -21.504
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -7.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -105.937129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.937129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.937129 (E_RNA)
where:
Base-Base interactions energy: -40.952
where: short stacking energy: -40.209
Base-Backbone interact. energy: 2.168
local terms energy: -67.153177
where:
bonds (distance) C4'-P energy: -18.571
bonds (distance) P-C4' energy: -16.351
flat angles C4'-P-C4' energy: -17.098
flat angles P-C4'-P energy: -12.416
tors. eta vs tors. theta energy: -2.718
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: 1, replica: 5
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -366.551878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.551878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.551878 (E_RNA)
where:
Base-Base interactions energy: -256.038
where: short stacking energy: -114.556
Base-Backbone interact. energy: -0.097
local terms energy: -110.417867
where:
bonds (distance) C4'-P energy: -18.480
bonds (distance) P-C4' energy: -23.413
flat angles C4'-P-C4' energy: -21.450
flat angles P-C4'-P energy: -12.148
tors. eta vs tors. theta energy: -34.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -344.371463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.371463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.371463 (E_RNA)
where:
Base-Base interactions energy: -236.706
where: short stacking energy: -111.154
Base-Backbone interact. energy: -0.139
local terms energy: -107.527029
where:
bonds (distance) C4'-P energy: -23.936
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -21.837
flat angles P-C4'-P energy: -13.818
tors. eta vs tors. theta energy: -32.477
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: 10
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -291.545359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.545359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.545359 (E_RNA)
where:
Base-Base interactions energy: -180.933
where: short stacking energy: -88.909
Base-Backbone interact. energy: -0.213
local terms energy: -110.399281
where:
bonds (distance) C4'-P energy: -17.863
bonds (distance) P-C4' energy: -21.635
flat angles C4'-P-C4' energy: -23.422
flat angles P-C4'-P energy: -17.846
tors. eta vs tors. theta energy: -29.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -269.991344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.991344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.991344 (E_RNA)
where:
Base-Base interactions energy: -171.694
where: short stacking energy: -85.622
Base-Backbone interact. energy: -0.699
local terms energy: -97.598895
where:
bonds (distance) C4'-P energy: -21.423
bonds (distance) P-C4' energy: -22.020
flat angles C4'-P-C4' energy: -23.756
flat angles P-C4'-P energy: -12.850
tors. eta vs tors. theta energy: -17.550
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: 9
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -285.787270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.787270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.787270 (E_RNA)
where:
Base-Base interactions energy: -190.305
where: short stacking energy: -73.196
Base-Backbone interact. energy: -0.135
local terms energy: -95.347377
where:
bonds (distance) C4'-P energy: -21.008
bonds (distance) P-C4' energy: -17.642
flat angles C4'-P-C4' energy: -22.329
flat angles P-C4'-P energy: -16.166
tors. eta vs tors. theta energy: -18.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -227.330739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.330739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.330739 (E_RNA)
where:
Base-Base interactions energy: -141.896
where: short stacking energy: -70.185
Base-Backbone interact. energy: -0.388
local terms energy: -85.046870
where:
bonds (distance) C4'-P energy: -22.497
bonds (distance) P-C4' energy: -22.973
flat angles C4'-P-C4' energy: -21.190
flat angles P-C4'-P energy: -11.886
tors. eta vs tors. theta energy: -6.500
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: 340
Temperature: 1.200000
Total energy: -243.698867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.698867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.698867 (E_RNA)
where:
Base-Base interactions energy: -152.559
where: short stacking energy: -63.238
Base-Backbone interact. energy: -0.223
local terms energy: -90.917431
where:
bonds (distance) C4'-P energy: -21.808
bonds (distance) P-C4' energy: -23.044
flat angles C4'-P-C4' energy: -19.159
flat angles P-C4'-P energy: -12.954
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: 8, replica: 6
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -237.647240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.647240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.647240 (E_RNA)
where:
Base-Base interactions energy: -145.939
where: short stacking energy: -66.066
Base-Backbone interact. energy: 1.195
local terms energy: -92.902910
where:
bonds (distance) C4'-P energy: -20.197
bonds (distance) P-C4' energy: -20.676
flat angles C4'-P-C4' energy: -21.614
flat angles P-C4'-P energy: -17.348
tors. eta vs tors. theta energy: -13.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -227.526193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.526193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.526193 (E_RNA)
where:
Base-Base interactions energy: -154.034
where: short stacking energy: -65.265
Base-Backbone interact. energy: -0.336
local terms energy: -73.156143
where:
bonds (distance) C4'-P energy: -22.100
bonds (distance) P-C4' energy: -12.261
flat angles C4'-P-C4' energy: -21.337
flat angles P-C4'-P energy: -7.987
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: 10, replica: 2
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -115.257115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.257115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.257115 (E_RNA)
where:
Base-Base interactions energy: -42.976
where: short stacking energy: -38.702
Base-Backbone interact. energy: -0.363
local terms energy: -71.917880
where:
bonds (distance) C4'-P energy: -13.471
bonds (distance) P-C4' energy: -25.221
flat angles C4'-P-C4' energy: -15.713
flat angles P-C4'-P energy: -11.899
tors. eta vs tors. theta energy: -5.613
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: 5
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -367.750524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.750524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.750524 (E_RNA)
where:
Base-Base interactions energy: -256.606
where: short stacking energy: -116.266
Base-Backbone interact. energy: -0.716
local terms energy: -110.428476
where:
bonds (distance) C4'-P energy: -19.405
bonds (distance) P-C4' energy: -21.641
flat angles C4'-P-C4' energy: -23.411
flat angles P-C4'-P energy: -9.349
tors. eta vs tors. theta energy: -36.623
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: 4
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -337.525283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.525283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.525283 (E_RNA)
where:
Base-Base interactions energy: -222.043
where: short stacking energy: -102.020
Base-Backbone interact. energy: -0.126
local terms energy: -115.355745
where:
bonds (distance) C4'-P energy: -24.803
bonds (distance) P-C4' energy: -25.863
flat angles C4'-P-C4' energy: -24.145
flat angles P-C4'-P energy: -13.780
tors. eta vs tors. theta energy: -26.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -309.910586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.910586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.910586 (E_RNA)
where:
Base-Base interactions energy: -194.695
where: short stacking energy: -106.778
Base-Backbone interact. energy: -0.460
local terms energy: -114.755229
where:
bonds (distance) C4'-P energy: -22.167
bonds (distance) P-C4' energy: -21.784
flat angles C4'-P-C4' energy: -24.316
flat angles P-C4'-P energy: -15.088
tors. eta vs tors. theta energy: -31.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -302.524606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.524606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.524606 (E_RNA)
where:
Base-Base interactions energy: -202.927
where: short stacking energy: -90.081
Base-Backbone interact. energy: -0.084
local terms energy: -99.513740
where:
bonds (distance) C4'-P energy: -22.930
bonds (distance) P-C4' energy: -19.737
flat angles C4'-P-C4' energy: -19.875
flat angles P-C4'-P energy: -16.649
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: 5, replica: 3
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -266.219452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.219452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.219452 (E_RNA)
where:
Base-Base interactions energy: -176.133
where: short stacking energy: -86.380
Base-Backbone interact. energy: 0.199
local terms energy: -90.285902
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -23.560
flat angles C4'-P-C4' energy: -21.306
flat angles P-C4'-P energy: -6.849
tors. eta vs tors. theta energy: -22.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -265.567670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.567670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.567670 (E_RNA)
where:
Base-Base interactions energy: -158.124
where: short stacking energy: -73.808
Base-Backbone interact. energy: -0.318
local terms energy: -107.125637
where:
bonds (distance) C4'-P energy: -16.112
bonds (distance) P-C4' energy: -22.163
flat angles C4'-P-C4' energy: -25.999
flat angles P-C4'-P energy: -19.636
tors. eta vs tors. theta energy: -23.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -239.950855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.950855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.950855 (E_RNA)
where:
Base-Base interactions energy: -151.934
where: short stacking energy: -73.804
Base-Backbone interact. energy: -0.128
local terms energy: -87.888531
where:
bonds (distance) C4'-P energy: -21.378
bonds (distance) P-C4' energy: -24.106
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -16.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -244.121621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.121621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.121621 (E_RNA)
where:
Base-Base interactions energy: -169.036
where: short stacking energy: -78.930
Base-Backbone interact. energy: -0.672
local terms energy: -74.413891
where:
bonds (distance) C4'-P energy: -7.720
bonds (distance) P-C4' energy: -16.760
flat angles C4'-P-C4' energy: -21.095
flat angles P-C4'-P energy: -11.911
tors. eta vs tors. theta energy: -16.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -240.235502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.235502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.235502 (E_RNA)
where:
Base-Base interactions energy: -160.299
where: short stacking energy: -68.563
Base-Backbone interact. energy: -0.444
local terms energy: -79.492522
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -18.101
flat angles C4'-P-C4' energy: -14.429
flat angles P-C4'-P energy: -12.422
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: 10, replica: 2
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -106.722643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.722643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.722643 (E_RNA)
where:
Base-Base interactions energy: -44.047
where: short stacking energy: -43.274
Base-Backbone interact. energy: -0.097
local terms energy: -62.579202
where:
bonds (distance) C4'-P energy: -16.000
bonds (distance) P-C4' energy: -20.092
flat angles C4'-P-C4' energy: -15.833
flat angles P-C4'-P energy: -11.693
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: 1, replica: 5
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -377.977327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.977327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.977327 (E_RNA)
where:
Base-Base interactions energy: -262.878
where: short stacking energy: -114.868
Base-Backbone interact. energy: -0.121
local terms energy: -114.979047
where:
bonds (distance) C4'-P energy: -21.626
bonds (distance) P-C4' energy: -18.138
flat angles C4'-P-C4' energy: -25.130
flat angles P-C4'-P energy: -17.688
tors. eta vs tors. theta energy: -32.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -347.022151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.022151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.022151 (E_RNA)
where:
Base-Base interactions energy: -230.643
where: short stacking energy: -101.967
Base-Backbone interact. energy: 0.304
local terms energy: -116.683044
where:
bonds (distance) C4'-P energy: -20.493
bonds (distance) P-C4' energy: -23.675
flat angles C4'-P-C4' energy: -26.007
flat angles P-C4'-P energy: -15.734
tors. eta vs tors. theta energy: -30.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -302.862632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.862632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.862632 (E_RNA)
where:
Base-Base interactions energy: -192.725
where: short stacking energy: -96.954
Base-Backbone interact. energy: 2.034
local terms energy: -112.171773
where:
bonds (distance) C4'-P energy: -20.045
bonds (distance) P-C4' energy: -25.014
flat angles C4'-P-C4' energy: -20.247
flat angles P-C4'-P energy: -19.434
tors. eta vs tors. theta energy: -27.432
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: 9
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -275.277035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.277035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.277035 (E_RNA)
where:
Base-Base interactions energy: -177.858
where: short stacking energy: -80.127
Base-Backbone interact. energy: 0.295
local terms energy: -97.714189
where:
bonds (distance) C4'-P energy: -18.563
bonds (distance) P-C4' energy: -21.822
flat angles C4'-P-C4' energy: -25.524
flat angles P-C4'-P energy: -13.255
tors. eta vs tors. theta energy: -18.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -278.780006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.780006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.780006 (E_RNA)
where:
Base-Base interactions energy: -181.199
where: short stacking energy: -82.268
Base-Backbone interact. energy: -0.856
local terms energy: -96.724582
where:
bonds (distance) C4'-P energy: -18.455
bonds (distance) P-C4' energy: -19.730
flat angles C4'-P-C4' energy: -20.990
flat angles P-C4'-P energy: -13.165
tors. eta vs tors. theta energy: -24.385
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: 6, replica: 7
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -285.031978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.031978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.031978 (E_RNA)
where:
Base-Base interactions energy: -178.895
where: short stacking energy: -88.573
Base-Backbone interact. energy: -0.033
local terms energy: -106.103438
where:
bonds (distance) C4'-P energy: -14.812
bonds (distance) P-C4' energy: -23.362
flat angles C4'-P-C4' energy: -23.127
flat angles P-C4'-P energy: -20.274
tors. eta vs tors. theta energy: -24.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -245.743354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.743354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.743354 (E_RNA)
where:
Base-Base interactions energy: -143.890
where: short stacking energy: -76.684
Base-Backbone interact. energy: 0.312
local terms energy: -102.164966
where:
bonds (distance) C4'-P energy: -22.619
bonds (distance) P-C4' energy: -22.625
flat angles C4'-P-C4' energy: -19.902
flat angles P-C4'-P energy: -10.943
tors. eta vs tors. theta energy: -26.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -239.215858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.215858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.215858 (E_RNA)
where:
Base-Base interactions energy: -143.915
where: short stacking energy: -58.424
Base-Backbone interact. energy: -0.160
local terms energy: -95.140267
where:
bonds (distance) C4'-P energy: -18.818
bonds (distance) P-C4' energy: -21.440
flat angles C4'-P-C4' energy: -24.118
flat angles P-C4'-P energy: -14.379
tors. eta vs tors. theta energy: -16.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -207.659553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.659553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.659553 (E_RNA)
where:
Base-Base interactions energy: -134.316
where: short stacking energy: -56.770
Base-Backbone interact. energy: -0.262
local terms energy: -73.082027
where:
bonds (distance) C4'-P energy: -21.028
bonds (distance) P-C4' energy: -23.797
flat angles C4'-P-C4' energy: -22.156
flat angles P-C4'-P energy: 0.925
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: 2
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -112.786299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.786299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.786299 (E_RNA)
where:
Base-Base interactions energy: -37.563
where: short stacking energy: -24.639
Base-Backbone interact. energy: -0.600
local terms energy: -74.622984
where:
bonds (distance) C4'-P energy: -23.869
bonds (distance) P-C4' energy: -27.252
flat angles C4'-P-C4' energy: -18.761
flat angles P-C4'-P energy: -12.039
tors. eta vs tors. theta energy: 7.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -368.862866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.862866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.862866 (E_RNA)
where:
Base-Base interactions energy: -249.310
where: short stacking energy: -105.534
Base-Backbone interact. energy: -0.093
local terms energy: -119.459134
where:
bonds (distance) C4'-P energy: -23.493
bonds (distance) P-C4' energy: -24.292
flat angles C4'-P-C4' energy: -25.020
flat angles P-C4'-P energy: -13.286
tors. eta vs tors. theta energy: -33.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -313.246965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.246965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.246965 (E_RNA)
where:
Base-Base interactions energy: -206.312
where: short stacking energy: -89.748
Base-Backbone interact. energy: -0.562
local terms energy: -106.373280
where:
bonds (distance) C4'-P energy: -20.433
bonds (distance) P-C4' energy: -22.648
flat angles C4'-P-C4' energy: -25.187
flat angles P-C4'-P energy: -11.478
tors. eta vs tors. theta energy: -26.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -325.750972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.750972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.750972 (E_RNA)
where:
Base-Base interactions energy: -211.068
where: short stacking energy: -93.348
Base-Backbone interact. energy: -0.020
local terms energy: -114.663335
where:
bonds (distance) C4'-P energy: -22.247
bonds (distance) P-C4' energy: -21.077
flat angles C4'-P-C4' energy: -26.143
flat angles P-C4'-P energy: -20.666
tors. eta vs tors. theta energy: -24.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -279.912534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.912534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.912534 (E_RNA)
where:
Base-Base interactions energy: -185.058
where: short stacking energy: -71.378
Base-Backbone interact. energy: -0.747
local terms energy: -94.108122
where:
bonds (distance) C4'-P energy: -17.268
bonds (distance) P-C4' energy: -19.058
flat angles C4'-P-C4' energy: -19.491
flat angles P-C4'-P energy: -18.511
tors. eta vs tors. theta energy: -19.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -295.855523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.855523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.855523 (E_RNA)
where:
Base-Base interactions energy: -198.432
where: short stacking energy: -81.603
Base-Backbone interact. energy: -1.309
local terms energy: -96.114532
where:
bonds (distance) C4'-P energy: -20.887
bonds (distance) P-C4' energy: -18.630
flat angles C4'-P-C4' energy: -20.545
flat angles P-C4'-P energy: -16.990
tors. eta vs tors. theta energy: -19.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -274.054224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.054224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.054224 (E_RNA)
where:
Base-Base interactions energy: -176.783
where: short stacking energy: -85.143
Base-Backbone interact. energy: -0.057
local terms energy: -97.213812
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -21.757
flat angles C4'-P-C4' energy: -21.850
flat angles P-C4'-P energy: -13.570
tors. eta vs tors. theta energy: -23.367
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: 6
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -252.612374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.612374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.612374 (E_RNA)
where:
Base-Base interactions energy: -157.844
where: short stacking energy: -70.497
Base-Backbone interact. energy: 1.120
local terms energy: -95.887588
where:
bonds (distance) C4'-P energy: -21.733
bonds (distance) P-C4' energy: -22.040
flat angles C4'-P-C4' energy: -23.218
flat angles P-C4'-P energy: -11.276
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: 8, replica: 1
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -232.965604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.965604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.965604 (E_RNA)
where:
Base-Base interactions energy: -142.912
where: short stacking energy: -65.651
Base-Backbone interact. energy: -0.292
local terms energy: -89.761253
where:
bonds (distance) C4'-P energy: -18.254
bonds (distance) P-C4' energy: -18.589
flat angles C4'-P-C4' energy: -20.179
flat angles P-C4'-P energy: -12.902
tors. eta vs tors. theta energy: -19.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -231.921952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.921952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.921952 (E_RNA)
where:
Base-Base interactions energy: -147.951
where: short stacking energy: -68.302
Base-Backbone interact. energy: -0.800
local terms energy: -83.171530
where:
bonds (distance) C4'-P energy: -17.977
bonds (distance) P-C4' energy: -20.087
flat angles C4'-P-C4' energy: -20.091
flat angles P-C4'-P energy: -13.461
tors. eta vs tors. theta energy: -11.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -123.639974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.639974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.639974 (E_RNA)
where:
Base-Base interactions energy: -44.255
where: short stacking energy: -42.703
Base-Backbone interact. energy: 0.253
local terms energy: -79.637929
where:
bonds (distance) C4'-P energy: -19.746
bonds (distance) P-C4' energy: -19.477
flat angles C4'-P-C4' energy: -17.023
flat angles P-C4'-P energy: -14.109
tors. eta vs tors. theta energy: -9.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -375.980062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.980062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.980062 (E_RNA)
where:
Base-Base interactions energy: -247.634
where: short stacking energy: -108.397
Base-Backbone interact. energy: -0.045
local terms energy: -128.301723
where:
bonds (distance) C4'-P energy: -23.518
bonds (distance) P-C4' energy: -25.075
flat angles C4'-P-C4' energy: -26.404
flat angles P-C4'-P energy: -18.749
tors. eta vs tors. theta energy: -34.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -313.445658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.445658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.445658 (E_RNA)
where:
Base-Base interactions energy: -202.650
where: short stacking energy: -86.535
Base-Backbone interact. energy: -0.164
local terms energy: -110.630927
where:
bonds (distance) C4'-P energy: -21.067
bonds (distance) P-C4' energy: -23.736
flat angles C4'-P-C4' energy: -25.450
flat angles P-C4'-P energy: -16.674
tors. eta vs tors. theta energy: -23.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -321.086039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.086039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.086039 (E_RNA)
where:
Base-Base interactions energy: -216.755
where: short stacking energy: -96.819
Base-Backbone interact. energy: -0.966
local terms energy: -103.365382
where:
bonds (distance) C4'-P energy: -20.751
bonds (distance) P-C4' energy: -20.522
flat angles C4'-P-C4' energy: -22.896
flat angles P-C4'-P energy: -14.084
tors. eta vs tors. theta energy: -25.111
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: 3
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -280.005181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.005181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.005181 (E_RNA)
where:
Base-Base interactions energy: -185.124
where: short stacking energy: -89.917
Base-Backbone interact. energy: -0.037
local terms energy: -94.843675
where:
bonds (distance) C4'-P energy: -19.486
bonds (distance) P-C4' energy: -22.135
flat angles C4'-P-C4' energy: -20.732
flat angles P-C4'-P energy: -15.037
tors. eta vs tors. theta energy: -17.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -308.836733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.836733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.836733 (E_RNA)
where:
Base-Base interactions energy: -207.956
where: short stacking energy: -89.762
Base-Backbone interact. energy: 0.021
local terms energy: -100.901666
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -25.534
flat angles C4'-P-C4' energy: -25.475
flat angles P-C4'-P energy: -17.593
tors. eta vs tors. theta energy: -19.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -257.568260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.568260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.568260 (E_RNA)
where:
Base-Base interactions energy: -165.431
where: short stacking energy: -74.480
Base-Backbone interact. energy: -0.182
local terms energy: -91.954777
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -18.684
flat angles C4'-P-C4' energy: -26.541
flat angles P-C4'-P energy: -12.731
tors. eta vs tors. theta energy: -17.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -259.319582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.319582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.319582 (E_RNA)
where:
Base-Base interactions energy: -173.289
where: short stacking energy: -73.757
Base-Backbone interact. energy: -0.670
local terms energy: -85.361196
where:
bonds (distance) C4'-P energy: -21.097
bonds (distance) P-C4' energy: -19.152
flat angles C4'-P-C4' energy: -20.820
flat angles P-C4'-P energy: -9.643
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: 8, replica: 1
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -236.879900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.879900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.879900 (E_RNA)
where:
Base-Base interactions energy: -149.727
where: short stacking energy: -68.627
Base-Backbone interact. energy: -0.443
local terms energy: -86.709816
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -24.477
flat angles C4'-P-C4' energy: -15.605
flat angles P-C4'-P energy: -13.291
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: 9, replica: 8
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -226.684702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.684702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.684702 (E_RNA)
where:
Base-Base interactions energy: -137.262
where: short stacking energy: -60.555
Base-Backbone interact. energy: -1.574
local terms energy: -87.848209
where:
bonds (distance) C4'-P energy: -18.452
bonds (distance) P-C4' energy: -23.427
flat angles C4'-P-C4' energy: -20.435
flat angles P-C4'-P energy: -13.618
tors. eta vs tors. theta energy: -11.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -108.105708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.105708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.105708 (E_RNA)
where:
Base-Base interactions energy: -31.263
where: short stacking energy: -31.263
Base-Backbone interact. energy: -0.164
local terms energy: -76.679076
where:
bonds (distance) C4'-P energy: -13.149
bonds (distance) P-C4' energy: -21.756
flat angles C4'-P-C4' energy: -22.702
flat angles P-C4'-P energy: -14.093
tors. eta vs tors. theta energy: -4.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -373.754198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.754198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.754198 (E_RNA)
where:
Base-Base interactions energy: -257.025
where: short stacking energy: -102.197
Base-Backbone interact. energy: -0.055
local terms energy: -116.674857
where:
bonds (distance) C4'-P energy: -17.589
bonds (distance) P-C4' energy: -20.877
flat angles C4'-P-C4' energy: -27.172
flat angles P-C4'-P energy: -17.777
tors. eta vs tors. theta energy: -33.261
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: 4
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -351.807422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.807422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.807422 (E_RNA)
where:
Base-Base interactions energy: -230.872
where: short stacking energy: -108.879
Base-Backbone interact. energy: -0.309
local terms energy: -120.626301
where:
bonds (distance) C4'-P energy: -25.575
bonds (distance) P-C4' energy: -23.275
flat angles C4'-P-C4' energy: -23.629
flat angles P-C4'-P energy: -17.916
tors. eta vs tors. theta energy: -30.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -294.294270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.294270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.294270 (E_RNA)
where:
Base-Base interactions energy: -196.254
where: short stacking energy: -100.075
Base-Backbone interact. energy: -0.081
local terms energy: -97.959395
where:
bonds (distance) C4'-P energy: -15.147
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -23.353
flat angles P-C4'-P energy: -14.811
tors. eta vs tors. theta energy: -26.002
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: 4, replica: 9
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -303.347855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.347855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.347855 (E_RNA)
where:
Base-Base interactions energy: -200.637
where: short stacking energy: -79.311
Base-Backbone interact. energy: 0.419
local terms energy: -103.129971
where:
bonds (distance) C4'-P energy: -18.309
bonds (distance) P-C4' energy: -23.444
flat angles C4'-P-C4' energy: -22.612
flat angles P-C4'-P energy: -19.566
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: 5, replica: 3
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -274.174589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.174589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.174589 (E_RNA)
where:
Base-Base interactions energy: -172.030
where: short stacking energy: -86.964
Base-Backbone interact. energy: 0.376
local terms energy: -102.520462
where:
bonds (distance) C4'-P energy: -22.904
bonds (distance) P-C4' energy: -22.623
flat angles C4'-P-C4' energy: -21.477
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -24.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -255.768440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.768440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.768440 (E_RNA)
where:
Base-Base interactions energy: -165.948
where: short stacking energy: -82.303
Base-Backbone interact. energy: -0.048
local terms energy: -89.772927
where:
bonds (distance) C4'-P energy: -17.755
bonds (distance) P-C4' energy: -25.390
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -13.019
tors. eta vs tors. theta energy: -17.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -252.929312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.929312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.929312 (E_RNA)
where:
Base-Base interactions energy: -163.180
where: short stacking energy: -78.048
Base-Backbone interact. energy: -0.239
local terms energy: -89.510407
where:
bonds (distance) C4'-P energy: -21.866
bonds (distance) P-C4' energy: -14.580
flat angles C4'-P-C4' energy: -25.004
flat angles P-C4'-P energy: -10.993
tors. eta vs tors. theta energy: -17.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -231.495330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.495330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.495330 (E_RNA)
where:
Base-Base interactions energy: -144.934
where: short stacking energy: -67.318
Base-Backbone interact. energy: 1.682
local terms energy: -88.242486
where:
bonds (distance) C4'-P energy: -22.333
bonds (distance) P-C4' energy: -14.950
flat angles C4'-P-C4' energy: -19.038
flat angles P-C4'-P energy: -16.941
tors. eta vs tors. theta energy: -14.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -216.424845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.424845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.424845 (E_RNA)
where:
Base-Base interactions energy: -143.422
where: short stacking energy: -63.110
Base-Backbone interact. energy: -0.165
local terms energy: -72.836989
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -21.566
flat angles C4'-P-C4' energy: -13.756
flat angles P-C4'-P energy: -11.959
tors. eta vs tors. theta energy: -13.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -124.030100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.030100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.030100 (E_RNA)
where:
Base-Base interactions energy: -41.769
where: short stacking energy: -35.570
Base-Backbone interact. energy: 0.646
local terms energy: -82.906953
where:
bonds (distance) C4'-P energy: -22.037
bonds (distance) P-C4' energy: -22.752
flat angles C4'-P-C4' energy: -20.779
flat angles P-C4'-P energy: -10.875
tors. eta vs tors. theta energy: -6.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -377.606872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.606872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.606872 (E_RNA)
where:
Base-Base interactions energy: -255.491
where: short stacking energy: -110.255
Base-Backbone interact. energy: -0.281
local terms energy: -121.835552
where:
bonds (distance) C4'-P energy: -26.590
bonds (distance) P-C4' energy: -21.111
flat angles C4'-P-C4' energy: -23.734
flat angles P-C4'-P energy: -17.059
tors. eta vs tors. theta energy: -33.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -353.663008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.663008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.663008 (E_RNA)
where:
Base-Base interactions energy: -244.186
where: short stacking energy: -116.507
Base-Backbone interact. energy: -0.183
local terms energy: -109.294590
where:
bonds (distance) C4'-P energy: -13.111
bonds (distance) P-C4' energy: -27.028
flat angles C4'-P-C4' energy: -24.479
flat angles P-C4'-P energy: -14.564
tors. eta vs tors. theta energy: -30.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -298.624175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.624175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.624175 (E_RNA)
where:
Base-Base interactions energy: -196.414
where: short stacking energy: -96.633
Base-Backbone interact. energy: 2.890
local terms energy: -105.100291
where:
bonds (distance) C4'-P energy: -19.597
bonds (distance) P-C4' energy: -23.899
flat angles C4'-P-C4' energy: -24.127
flat angles P-C4'-P energy: -18.255
tors. eta vs tors. theta energy: -19.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -292.894091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.894091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.894091 (E_RNA)
where:
Base-Base interactions energy: -187.683
where: short stacking energy: -92.815
Base-Backbone interact. energy: -0.257
local terms energy: -104.954306
where:
bonds (distance) C4'-P energy: -19.886
bonds (distance) P-C4' energy: -18.269
flat angles C4'-P-C4' energy: -23.245
flat angles P-C4'-P energy: -17.438
tors. eta vs tors. theta energy: -26.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -258.159151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.159151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.159151 (E_RNA)
where:
Base-Base interactions energy: -160.993
where: short stacking energy: -79.952
Base-Backbone interact. energy: -0.245
local terms energy: -96.921266
where:
bonds (distance) C4'-P energy: -22.379
bonds (distance) P-C4' energy: -21.146
flat angles C4'-P-C4' energy: -21.352
flat angles P-C4'-P energy: -15.203
tors. eta vs tors. theta energy: -16.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -268.292004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.292004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.292004 (E_RNA)
where:
Base-Base interactions energy: -163.843
where: short stacking energy: -73.426
Base-Backbone interact. energy: -0.379
local terms energy: -104.070248
where:
bonds (distance) C4'-P energy: -25.882
bonds (distance) P-C4' energy: -24.858
flat angles C4'-P-C4' energy: -20.535
flat angles P-C4'-P energy: -11.249
tors. eta vs tors. theta energy: -21.546
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: 7
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -251.097893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.097893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.097893 (E_RNA)
where:
Base-Base interactions energy: -163.155
where: short stacking energy: -65.944
Base-Backbone interact. energy: -0.779
local terms energy: -87.163509
where:
bonds (distance) C4'-P energy: -18.199
bonds (distance) P-C4' energy: -22.630
flat angles C4'-P-C4' energy: -17.732
flat angles P-C4'-P energy: -14.705
tors. eta vs tors. theta energy: -13.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -248.368848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.368848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.368848 (E_RNA)
where:
Base-Base interactions energy: -165.803
where: short stacking energy: -59.267
Base-Backbone interact. energy: 0.503
local terms energy: -83.069237
where:
bonds (distance) C4'-P energy: -23.796
bonds (distance) P-C4' energy: -22.970
flat angles C4'-P-C4' energy: -16.375
flat angles P-C4'-P energy: -7.037
tors. eta vs tors. theta energy: -12.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -229.827396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.827396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.827396 (E_RNA)
where:
Base-Base interactions energy: -147.240
where: short stacking energy: -59.105
Base-Backbone interact. energy: 1.735
local terms energy: -84.321865
where:
bonds (distance) C4'-P energy: -17.659
bonds (distance) P-C4' energy: -20.958
flat angles C4'-P-C4' energy: -20.063
flat angles P-C4'-P energy: -16.851
tors. eta vs tors. theta energy: -8.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -111.883632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.883632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.883632 (E_RNA)
where:
Base-Base interactions energy: -53.816
where: short stacking energy: -37.145
Base-Backbone interact. energy: -0.080
local terms energy: -57.987788
where:
bonds (distance) C4'-P energy: -19.662
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -6.226
flat angles P-C4'-P energy: -14.115
tors. eta vs tors. theta energy: -1.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -377.198419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.198419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.198419 (E_RNA)
where:
Base-Base interactions energy: -247.614
where: short stacking energy: -106.111
Base-Backbone interact. energy: -0.001
local terms energy: -129.582851
where:
bonds (distance) C4'-P energy: -23.751
bonds (distance) P-C4' energy: -23.614
flat angles C4'-P-C4' energy: -27.967
flat angles P-C4'-P energy: -19.731
tors. eta vs tors. theta energy: -34.520
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: 4
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -344.606732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.606732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.606732 (E_RNA)
where:
Base-Base interactions energy: -232.028
where: short stacking energy: -100.190
Base-Backbone interact. energy: -0.170
local terms energy: -112.409261
where:
bonds (distance) C4'-P energy: -19.788
bonds (distance) P-C4' energy: -22.572
flat angles C4'-P-C4' energy: -20.800
flat angles P-C4'-P energy: -20.872
tors. eta vs tors. theta energy: -28.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -300.880575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.880575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.880575 (E_RNA)
where:
Base-Base interactions energy: -186.786
where: short stacking energy: -90.254
Base-Backbone interact. energy: -0.746
local terms energy: -113.348414
where:
bonds (distance) C4'-P energy: -23.499
bonds (distance) P-C4' energy: -23.027
flat angles C4'-P-C4' energy: -25.799
flat angles P-C4'-P energy: -15.922
tors. eta vs tors. theta energy: -25.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -274.926336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.926336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.926336 (E_RNA)
where:
Base-Base interactions energy: -192.731
where: short stacking energy: -73.405
Base-Backbone interact. energy: -0.222
local terms energy: -81.972762
where:
bonds (distance) C4'-P energy: -23.514
bonds (distance) P-C4' energy: -15.978
flat angles C4'-P-C4' energy: -15.760
flat angles P-C4'-P energy: -12.713
tors. eta vs tors. theta energy: -14.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -281.354703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.354703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.354703 (E_RNA)
where:
Base-Base interactions energy: -193.047
where: short stacking energy: -81.885
Base-Backbone interact. energy: -0.049
local terms energy: -88.258043
where:
bonds (distance) C4'-P energy: -24.797
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -17.726
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: -21.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -271.011416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.011416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.011416 (E_RNA)
where:
Base-Base interactions energy: -173.274
where: short stacking energy: -83.561
Base-Backbone interact. energy: -0.065
local terms energy: -97.672205
where:
bonds (distance) C4'-P energy: -21.047
bonds (distance) P-C4' energy: -22.989
flat angles C4'-P-C4' energy: -24.235
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -20.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -235.128050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.128050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.128050 (E_RNA)
where:
Base-Base interactions energy: -139.503
where: short stacking energy: -80.261
Base-Backbone interact. energy: -0.056
local terms energy: -95.569650
where:
bonds (distance) C4'-P energy: -21.605
bonds (distance) P-C4' energy: -20.041
flat angles C4'-P-C4' energy: -19.276
flat angles P-C4'-P energy: -15.302
tors. eta vs tors. theta energy: -19.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -246.037086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.037086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.037086 (E_RNA)
where:
Base-Base interactions energy: -154.499
where: short stacking energy: -72.194
Base-Backbone interact. energy: -0.126
local terms energy: -91.412035
where:
bonds (distance) C4'-P energy: -23.910
bonds (distance) P-C4' energy: -22.424
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -21.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -252.534589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.534589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.534589 (E_RNA)
where:
Base-Base interactions energy: -164.754
where: short stacking energy: -78.873
Base-Backbone interact. energy: -0.217
local terms energy: -87.562710
where:
bonds (distance) C4'-P energy: -16.142
bonds (distance) P-C4' energy: -22.216
flat angles C4'-P-C4' energy: -17.824
flat angles P-C4'-P energy: -14.828
tors. eta vs tors. theta energy: -16.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -125.427383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.427383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.427383 (E_RNA)
where:
Base-Base interactions energy: -53.015
where: short stacking energy: -48.352
Base-Backbone interact. energy: -0.039
local terms energy: -72.373338
where:
bonds (distance) C4'-P energy: -19.995
bonds (distance) P-C4' energy: -23.571
flat angles C4'-P-C4' energy: -21.419
flat angles P-C4'-P energy: -0.559
tors. eta vs tors. theta energy: -6.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -367.676427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.676427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.676427 (E_RNA)
where:
Base-Base interactions energy: -248.132
where: short stacking energy: -110.998
Base-Backbone interact. energy: -0.359
local terms energy: -119.186099
where:
bonds (distance) C4'-P energy: -17.247
bonds (distance) P-C4' energy: -22.244
flat angles C4'-P-C4' energy: -26.103
flat angles P-C4'-P energy: -20.368
tors. eta vs tors. theta energy: -33.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -342.862247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.862247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.862247 (E_RNA)
where:
Base-Base interactions energy: -230.477
where: short stacking energy: -104.668
Base-Backbone interact. energy: -1.090
local terms energy: -111.295538
where:
bonds (distance) C4'-P energy: -18.396
bonds (distance) P-C4' energy: -19.639
flat angles C4'-P-C4' energy: -25.981
flat angles P-C4'-P energy: -18.138
tors. eta vs tors. theta energy: -29.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -299.797893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.797893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.797893 (E_RNA)
where:
Base-Base interactions energy: -195.008
where: short stacking energy: -84.766
Base-Backbone interact. energy: -0.589
local terms energy: -104.200758
where:
bonds (distance) C4'-P energy: -21.780
bonds (distance) P-C4' energy: -22.196
flat angles C4'-P-C4' energy: -22.115
flat angles P-C4'-P energy: -13.721
tors. eta vs tors. theta energy: -24.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -276.674848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.674848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.674848 (E_RNA)
where:
Base-Base interactions energy: -180.583
where: short stacking energy: -90.936
Base-Backbone interact. energy: -0.025
local terms energy: -96.067098
where:
bonds (distance) C4'-P energy: -17.660
bonds (distance) P-C4' energy: -20.671
flat angles C4'-P-C4' energy: -20.045
flat angles P-C4'-P energy: -14.294
tors. eta vs tors. theta energy: -23.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -267.524253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.524253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.524253 (E_RNA)
where:
Base-Base interactions energy: -172.952
where: short stacking energy: -82.821
Base-Backbone interact. energy: -0.271
local terms energy: -94.301554
where:
bonds (distance) C4'-P energy: -19.283
bonds (distance) P-C4' energy: -22.201
flat angles C4'-P-C4' energy: -23.182
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: -17.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -280.329662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.329662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.329662 (E_RNA)
where:
Base-Base interactions energy: -181.413
where: short stacking energy: -89.342
Base-Backbone interact. energy: -0.172
local terms energy: -98.744608
where:
bonds (distance) C4'-P energy: -21.283
bonds (distance) P-C4' energy: -20.380
flat angles C4'-P-C4' energy: -17.308
flat angles P-C4'-P energy: -12.863
tors. eta vs tors. theta energy: -26.910
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: 8
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -257.058770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.058770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.058770 (E_RNA)
where:
Base-Base interactions energy: -161.839
where: short stacking energy: -77.237
Base-Backbone interact. energy: -0.166
local terms energy: -95.053634
where:
bonds (distance) C4'-P energy: -22.115
bonds (distance) P-C4' energy: -19.028
flat angles C4'-P-C4' energy: -23.610
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: -19.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -201.544310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.544310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.544310 (E_RNA)
where:
Base-Base interactions energy: -119.876
where: short stacking energy: -60.254
Base-Backbone interact. energy: -0.200
local terms energy: -81.469073
where:
bonds (distance) C4'-P energy: -19.077
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -22.777
flat angles P-C4'-P energy: -8.803
tors. eta vs tors. theta energy: -12.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -252.698493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.698493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.698493 (E_RNA)
where:
Base-Base interactions energy: -161.355
where: short stacking energy: -77.557
Base-Backbone interact. energy: -1.019
local terms energy: -90.324501
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -23.645
flat angles C4'-P-C4' energy: -23.844
flat angles P-C4'-P energy: -10.271
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: 10, replica: 2
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -115.511999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.511999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.511999 (E_RNA)
where:
Base-Base interactions energy: -46.084
where: short stacking energy: -22.576
Base-Backbone interact. energy: 1.483
local terms energy: -70.910831
where:
bonds (distance) C4'-P energy: -19.134
bonds (distance) P-C4' energy: -23.213
flat angles C4'-P-C4' energy: -17.422
flat angles P-C4'-P energy: -14.314
tors. eta vs tors. theta energy: 3.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -363.659172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.659172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.659172 (E_RNA)
where:
Base-Base interactions energy: -249.632
where: short stacking energy: -115.177
Base-Backbone interact. energy: -0.004
local terms energy: -114.023839
where:
bonds (distance) C4'-P energy: -15.999
bonds (distance) P-C4' energy: -26.042
flat angles C4'-P-C4' energy: -18.705
flat angles P-C4'-P energy: -18.926
tors. eta vs tors. theta energy: -34.352
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: 4
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -332.094964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.094964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.094964 (E_RNA)
where:
Base-Base interactions energy: -232.182
where: short stacking energy: -103.278
Base-Backbone interact. energy: 0.007
local terms energy: -99.919216
where:
bonds (distance) C4'-P energy: -15.946
bonds (distance) P-C4' energy: -18.868
flat angles C4'-P-C4' energy: -20.752
flat angles P-C4'-P energy: -17.190
tors. eta vs tors. theta energy: -27.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -322.798011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.798011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.798011 (E_RNA)
where:
Base-Base interactions energy: -218.604
where: short stacking energy: -102.562
Base-Backbone interact. energy: -0.461
local terms energy: -103.732255
where:
bonds (distance) C4'-P energy: -23.862
bonds (distance) P-C4' energy: -19.865
flat angles C4'-P-C4' energy: -20.523
flat angles P-C4'-P energy: -15.539
tors. eta vs tors. theta energy: -23.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -275.472608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.472608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.472608 (E_RNA)
where:
Base-Base interactions energy: -179.696
where: short stacking energy: -89.449
Base-Backbone interact. energy: -0.557
local terms energy: -95.219123
where:
bonds (distance) C4'-P energy: -20.631
bonds (distance) P-C4' energy: -19.379
flat angles C4'-P-C4' energy: -21.929
flat angles P-C4'-P energy: -13.660
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: 5, replica: 9
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -263.890641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.890641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.890641 (E_RNA)
where:
Base-Base interactions energy: -163.284
where: short stacking energy: -78.312
Base-Backbone interact. energy: -0.463
local terms energy: -100.144106
where:
bonds (distance) C4'-P energy: -22.239
bonds (distance) P-C4' energy: -22.674
flat angles C4'-P-C4' energy: -17.350
flat angles P-C4'-P energy: -16.499
tors. eta vs tors. theta energy: -21.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -271.587003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.587003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.587003 (E_RNA)
where:
Base-Base interactions energy: -186.447
where: short stacking energy: -87.854
Base-Backbone interact. energy: -0.574
local terms energy: -84.565516
where:
bonds (distance) C4'-P energy: -23.444
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -22.267
flat angles P-C4'-P energy: -6.309
tors. eta vs tors. theta energy: -17.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -264.325281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.325281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.325281 (E_RNA)
where:
Base-Base interactions energy: -165.849
where: short stacking energy: -82.823
Base-Backbone interact. energy: -1.665
local terms energy: -96.811317
where:
bonds (distance) C4'-P energy: -18.999
bonds (distance) P-C4' energy: -20.995
flat angles C4'-P-C4' energy: -21.131
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -24.720
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: 8, replica: 7
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -207.075840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.075840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.075840 (E_RNA)
where:
Base-Base interactions energy: -129.584
where: short stacking energy: -66.217
Base-Backbone interact. energy: 0.536
local terms energy: -78.027272
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -21.843
flat angles C4'-P-C4' energy: -18.974
flat angles P-C4'-P energy: -10.122
tors. eta vs tors. theta energy: -13.164
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: 9, replica: 1
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -228.925502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.925502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.925502 (E_RNA)
where:
Base-Base interactions energy: -144.393
where: short stacking energy: -66.162
Base-Backbone interact. energy: -0.232
local terms energy: -84.300413
where:
bonds (distance) C4'-P energy: -20.522
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -13.081
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: 10, replica: 2
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -124.255926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.255926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.255926 (E_RNA)
where:
Base-Base interactions energy: -56.702
where: short stacking energy: -41.854
Base-Backbone interact. energy: 0.334
local terms energy: -67.887440
where:
bonds (distance) C4'-P energy: -17.117
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -12.296
flat angles P-C4'-P energy: -13.598
tors. eta vs tors. theta energy: -11.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -375.585140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.585140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.585140 (E_RNA)
where:
Base-Base interactions energy: -253.560
where: short stacking energy: -114.124
Base-Backbone interact. energy: -0.094
local terms energy: -121.931898
where:
bonds (distance) C4'-P energy: -23.775
bonds (distance) P-C4' energy: -20.284
flat angles C4'-P-C4' energy: -25.466
flat angles P-C4'-P energy: -17.249
tors. eta vs tors. theta energy: -35.157
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: 4
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -332.263390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.263390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.263390 (E_RNA)
where:
Base-Base interactions energy: -218.036
where: short stacking energy: -104.808
Base-Backbone interact. energy: -0.303
local terms energy: -113.924533
where:
bonds (distance) C4'-P energy: -22.475
bonds (distance) P-C4' energy: -22.853
flat angles C4'-P-C4' energy: -24.126
flat angles P-C4'-P energy: -17.955
tors. eta vs tors. theta energy: -26.516
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: 6
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -318.845334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.845334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.845334 (E_RNA)
where:
Base-Base interactions energy: -211.203
where: short stacking energy: -96.559
Base-Backbone interact. energy: -0.610
local terms energy: -107.032717
where:
bonds (distance) C4'-P energy: -23.179
bonds (distance) P-C4' energy: -20.281
flat angles C4'-P-C4' energy: -20.112
flat angles P-C4'-P energy: -17.324
tors. eta vs tors. theta energy: -26.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -298.039113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.039113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.039113 (E_RNA)
where:
Base-Base interactions energy: -189.236
where: short stacking energy: -90.697
Base-Backbone interact. energy: -0.316
local terms energy: -108.487163
where:
bonds (distance) C4'-P energy: -24.676
bonds (distance) P-C4' energy: -27.073
flat angles C4'-P-C4' energy: -20.139
flat angles P-C4'-P energy: -9.183
tors. eta vs tors. theta energy: -27.416
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: 8
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -272.232255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.232255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.232255 (E_RNA)
where:
Base-Base interactions energy: -180.710
where: short stacking energy: -80.835
Base-Backbone interact. energy: -0.290
local terms energy: -91.232423
where:
bonds (distance) C4'-P energy: -18.648
bonds (distance) P-C4' energy: -20.124
flat angles C4'-P-C4' energy: -19.292
flat angles P-C4'-P energy: -10.361
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: 6, replica: 9
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -236.452414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.452414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.452414 (E_RNA)
where:
Base-Base interactions energy: -146.807
where: short stacking energy: -69.210
Base-Backbone interact. energy: -0.204
local terms energy: -89.441220
where:
bonds (distance) C4'-P energy: -16.062
bonds (distance) P-C4' energy: -23.686
flat angles C4'-P-C4' energy: -19.609
flat angles P-C4'-P energy: -15.140
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: 7, replica: 10
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -242.071437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.071437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.071437 (E_RNA)
where:
Base-Base interactions energy: -151.318
where: short stacking energy: -73.321
Base-Backbone interact. energy: -0.887
local terms energy: -89.866686
where:
bonds (distance) C4'-P energy: -17.628
bonds (distance) P-C4' energy: -24.177
flat angles C4'-P-C4' energy: -13.210
flat angles P-C4'-P energy: -20.198
tors. eta vs tors. theta energy: -14.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -199.203043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.203043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.203043 (E_RNA)
where:
Base-Base interactions energy: -119.477
where: short stacking energy: -63.032
Base-Backbone interact. energy: -0.912
local terms energy: -78.814098
where:
bonds (distance) C4'-P energy: -16.203
bonds (distance) P-C4' energy: -18.835
flat angles C4'-P-C4' energy: -18.990
flat angles P-C4'-P energy: -13.681
tors. eta vs tors. theta energy: -11.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -233.313829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.313829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.313829 (E_RNA)
where:
Base-Base interactions energy: -154.993
where: short stacking energy: -66.448
Base-Backbone interact. energy: 2.163
local terms energy: -80.483644
where:
bonds (distance) C4'-P energy: -20.066
bonds (distance) P-C4' energy: -19.667
flat angles C4'-P-C4' energy: -21.594
flat angles P-C4'-P energy: -8.449
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: 10, replica: 2
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -107.909983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.909983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.909983 (E_RNA)
where:
Base-Base interactions energy: -36.423
where: short stacking energy: -26.319
Base-Backbone interact. energy: 0.402
local terms energy: -71.888724
where:
bonds (distance) C4'-P energy: -23.398
bonds (distance) P-C4' energy: -22.250
flat angles C4'-P-C4' energy: -20.685
flat angles P-C4'-P energy: -6.651
tors. eta vs tors. theta energy: 1.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -376.828650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.828650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.828650 (E_RNA)
where:
Base-Base interactions energy: -252.150
where: short stacking energy: -109.378
Base-Backbone interact. energy: -0.124
local terms energy: -124.554636
where:
bonds (distance) C4'-P energy: -20.906
bonds (distance) P-C4' energy: -22.564
flat angles C4'-P-C4' energy: -28.179
flat angles P-C4'-P energy: -19.699
tors. eta vs tors. theta energy: -33.206
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: 6
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -317.876911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.876911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.876911 (E_RNA)
where:
Base-Base interactions energy: -205.376
where: short stacking energy: -95.361
Base-Backbone interact. energy: -0.218
local terms energy: -112.283442
where:
bonds (distance) C4'-P energy: -19.493
bonds (distance) P-C4' energy: -25.458
flat angles C4'-P-C4' energy: -22.735
flat angles P-C4'-P energy: -16.869
tors. eta vs tors. theta energy: -27.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -330.977434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.977434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.977434 (E_RNA)
where:
Base-Base interactions energy: -218.024
where: short stacking energy: -89.038
Base-Backbone interact. energy: -0.944
local terms energy: -112.008931
where:
bonds (distance) C4'-P energy: -18.900
bonds (distance) P-C4' energy: -24.432
flat angles C4'-P-C4' energy: -24.434
flat angles P-C4'-P energy: -17.247
tors. eta vs tors. theta energy: -26.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -282.200122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.200122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.200122 (E_RNA)
where:
Base-Base interactions energy: -181.975
where: short stacking energy: -73.721
Base-Backbone interact. energy: -1.020
local terms energy: -99.204633
where:
bonds (distance) C4'-P energy: -23.933
bonds (distance) P-C4' energy: -22.676
flat angles C4'-P-C4' energy: -22.200
flat angles P-C4'-P energy: -15.043
tors. eta vs tors. theta energy: -15.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -275.530540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.530540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.530540 (E_RNA)
where:
Base-Base interactions energy: -175.383
where: short stacking energy: -76.722
Base-Backbone interact. energy: -0.143
local terms energy: -100.004718
where:
bonds (distance) C4'-P energy: -17.506
bonds (distance) P-C4' energy: -19.977
flat angles C4'-P-C4' energy: -22.400
flat angles P-C4'-P energy: -16.434
tors. eta vs tors. theta energy: -23.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -244.882820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.882820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.882820 (E_RNA)
where:
Base-Base interactions energy: -147.098
where: short stacking energy: -69.542
Base-Backbone interact. energy: -1.359
local terms energy: -96.426433
where:
bonds (distance) C4'-P energy: -23.422
bonds (distance) P-C4' energy: -25.026
flat angles C4'-P-C4' energy: -13.331
flat angles P-C4'-P energy: -16.469
tors. eta vs tors. theta energy: -18.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -261.985803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.985803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.985803 (E_RNA)
where:
Base-Base interactions energy: -159.074
where: short stacking energy: -79.061
Base-Backbone interact. energy: -0.289
local terms energy: -102.623130
where:
bonds (distance) C4'-P energy: -21.677
bonds (distance) P-C4' energy: -20.876
flat angles C4'-P-C4' energy: -22.998
flat angles P-C4'-P energy: -17.083
tors. eta vs tors. theta energy: -19.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -250.854133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.854133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.854133 (E_RNA)
where:
Base-Base interactions energy: -151.380
where: short stacking energy: -65.869
Base-Backbone interact. energy: -0.172
local terms energy: -99.301934
where:
bonds (distance) C4'-P energy: -18.194
bonds (distance) P-C4' energy: -20.623
flat angles C4'-P-C4' energy: -22.453
flat angles P-C4'-P energy: -16.627
tors. eta vs tors. theta energy: -21.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -221.785558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.785558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.785558 (E_RNA)
where:
Base-Base interactions energy: -130.271
where: short stacking energy: -61.282
Base-Backbone interact. energy: -0.222
local terms energy: -91.292564
where:
bonds (distance) C4'-P energy: -19.943
bonds (distance) P-C4' energy: -20.689
flat angles C4'-P-C4' energy: -20.875
flat angles P-C4'-P energy: -12.816
tors. eta vs tors. theta energy: -16.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -111.337604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.337604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.337604 (E_RNA)
where:
Base-Base interactions energy: -47.522
where: short stacking energy: -43.176
Base-Backbone interact. energy: -0.313
local terms energy: -63.502859
where:
bonds (distance) C4'-P energy: -18.102
bonds (distance) P-C4' energy: -22.642
flat angles C4'-P-C4' energy: -8.858
flat angles P-C4'-P energy: -11.290
tors. eta vs tors. theta energy: -2.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -371.102285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.102285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.102285 (E_RNA)
where:
Base-Base interactions energy: -250.458
where: short stacking energy: -114.374
Base-Backbone interact. energy: -0.078
local terms energy: -120.566967
where:
bonds (distance) C4'-P energy: -22.674
bonds (distance) P-C4' energy: -23.582
flat angles C4'-P-C4' energy: -24.339
flat angles P-C4'-P energy: -16.378
tors. eta vs tors. theta energy: -33.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -315.592468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.592468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.592468 (E_RNA)
where:
Base-Base interactions energy: -212.383
where: short stacking energy: -93.423
Base-Backbone interact. energy: -0.400
local terms energy: -102.809428
where:
bonds (distance) C4'-P energy: -24.243
bonds (distance) P-C4' energy: -22.660
flat angles C4'-P-C4' energy: -21.334
flat angles P-C4'-P energy: -16.759
tors. eta vs tors. theta energy: -17.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -342.812856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.812856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.812856 (E_RNA)
where:
Base-Base interactions energy: -231.737
where: short stacking energy: -117.247
Base-Backbone interact. energy: -0.419
local terms energy: -110.656644
where:
bonds (distance) C4'-P energy: -19.018
bonds (distance) P-C4' energy: -18.886
flat angles C4'-P-C4' energy: -22.486
flat angles P-C4'-P energy: -17.813
tors. eta vs tors. theta energy: -32.454
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: 3
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -305.266145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.266145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.266145 (E_RNA)
where:
Base-Base interactions energy: -206.522
where: short stacking energy: -84.945
Base-Backbone interact. energy: -0.526
local terms energy: -98.217935
where:
bonds (distance) C4'-P energy: -21.304
bonds (distance) P-C4' energy: -23.860
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -14.418
tors. eta vs tors. theta energy: -22.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -274.763165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.763165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.763165 (E_RNA)
where:
Base-Base interactions energy: -173.762
where: short stacking energy: -91.853
Base-Backbone interact. energy: -0.100
local terms energy: -100.901006
where:
bonds (distance) C4'-P energy: -23.291
bonds (distance) P-C4' energy: -17.208
flat angles C4'-P-C4' energy: -15.170
flat angles P-C4'-P energy: -15.549
tors. eta vs tors. theta energy: -29.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -265.518959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.518959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.518959 (E_RNA)
where:
Base-Base interactions energy: -166.481
where: short stacking energy: -83.820
Base-Backbone interact. energy: -0.198
local terms energy: -98.839920
where:
bonds (distance) C4'-P energy: -20.596
bonds (distance) P-C4' energy: -23.991
flat angles C4'-P-C4' energy: -19.197
flat angles P-C4'-P energy: -16.826
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: 7, replica: 1
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -260.628899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.628899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.628899 (E_RNA)
where:
Base-Base interactions energy: -163.211
where: short stacking energy: -74.127
Base-Backbone interact. energy: -0.557
local terms energy: -96.860265
where:
bonds (distance) C4'-P energy: -21.399
bonds (distance) P-C4' energy: -22.266
flat angles C4'-P-C4' energy: -23.774
flat angles P-C4'-P energy: -17.048
tors. eta vs tors. theta energy: -12.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -239.874911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.874911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.874911 (E_RNA)
where:
Base-Base interactions energy: -155.271
where: short stacking energy: -64.652
Base-Backbone interact. energy: 0.356
local terms energy: -84.960165
where:
bonds (distance) C4'-P energy: -18.999
bonds (distance) P-C4' energy: -16.254
flat angles C4'-P-C4' energy: -24.584
flat angles P-C4'-P energy: -7.170
tors. eta vs tors. theta energy: -17.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -184.943800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.943800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.943800 (E_RNA)
where:
Base-Base interactions energy: -102.660
where: short stacking energy: -43.821
Base-Backbone interact. energy: -0.481
local terms energy: -81.802205
where:
bonds (distance) C4'-P energy: -19.755
bonds (distance) P-C4' energy: -23.862
flat angles C4'-P-C4' energy: -19.210
flat angles P-C4'-P energy: -13.983
tors. eta vs tors. theta energy: -4.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -122.111725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.111725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.111725 (E_RNA)
where:
Base-Base interactions energy: -49.584
where: short stacking energy: -37.482
Base-Backbone interact. energy: 4.299
local terms energy: -76.826915
where:
bonds (distance) C4'-P energy: -17.481
bonds (distance) P-C4' energy: -21.657
flat angles C4'-P-C4' energy: -18.653
flat angles P-C4'-P energy: -8.496
tors. eta vs tors. theta energy: -10.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -377.619467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.619467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.619467 (E_RNA)
where:
Base-Base interactions energy: -261.021
where: short stacking energy: -117.596
Base-Backbone interact. energy: -0.098
local terms energy: -116.500472
where:
bonds (distance) C4'-P energy: -25.025
bonds (distance) P-C4' energy: -20.520
flat angles C4'-P-C4' energy: -22.679
flat angles P-C4'-P energy: -15.158
tors. eta vs tors. theta energy: -33.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -350.034507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.034507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.034507 (E_RNA)
where:
Base-Base interactions energy: -242.081
where: short stacking energy: -105.331
Base-Backbone interact. energy: -0.216
local terms energy: -107.737564
where:
bonds (distance) C4'-P energy: -21.783
bonds (distance) P-C4' energy: -16.740
flat angles C4'-P-C4' energy: -21.667
flat angles P-C4'-P energy: -13.970
tors. eta vs tors. theta energy: -33.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -313.156555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.156555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.156555 (E_RNA)
where:
Base-Base interactions energy: -203.037
where: short stacking energy: -84.096
Base-Backbone interact. energy: -0.299
local terms energy: -109.820320
where:
bonds (distance) C4'-P energy: -25.298
bonds (distance) P-C4' energy: -23.464
flat angles C4'-P-C4' energy: -23.421
flat angles P-C4'-P energy: -13.768
tors. eta vs tors. theta energy: -23.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -302.305734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.305734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.305734 (E_RNA)
where:
Base-Base interactions energy: -199.783
where: short stacking energy: -87.343
Base-Backbone interact. energy: -0.156
local terms energy: -102.366802
where:
bonds (distance) C4'-P energy: -22.901
bonds (distance) P-C4' energy: -22.911
flat angles C4'-P-C4' energy: -20.342
flat angles P-C4'-P energy: -14.084
tors. eta vs tors. theta energy: -22.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -260.587598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.587598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.587598 (E_RNA)
where:
Base-Base interactions energy: -165.145
where: short stacking energy: -79.519
Base-Backbone interact. energy: 0.052
local terms energy: -95.494695
where:
bonds (distance) C4'-P energy: -25.385
bonds (distance) P-C4' energy: -20.533
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: -22.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -262.476507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.476507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.476507 (E_RNA)
where:
Base-Base interactions energy: -166.045
where: short stacking energy: -79.790
Base-Backbone interact. energy: -0.051
local terms energy: -96.380136
where:
bonds (distance) C4'-P energy: -23.891
bonds (distance) P-C4' energy: -13.421
flat angles C4'-P-C4' energy: -22.775
flat angles P-C4'-P energy: -13.680
tors. eta vs tors. theta energy: -22.612
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: 7, replica: 9
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -233.684447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.684447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.684447 (E_RNA)
where:
Base-Base interactions energy: -146.002
where: short stacking energy: -61.104
Base-Backbone interact. energy: -0.414
local terms energy: -87.268248
where:
bonds (distance) C4'-P energy: -18.949
bonds (distance) P-C4' energy: -22.223
flat angles C4'-P-C4' energy: -19.696
flat angles P-C4'-P energy: -15.409
tors. eta vs tors. theta energy: -10.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -233.969001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.969001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.969001 (E_RNA)
where:
Base-Base interactions energy: -147.513
where: short stacking energy: -55.895
Base-Backbone interact. energy: -0.873
local terms energy: -85.582773
where:
bonds (distance) C4'-P energy: -24.256
bonds (distance) P-C4' energy: -18.843
flat angles C4'-P-C4' energy: -19.783
flat angles P-C4'-P energy: -13.515
tors. eta vs tors. theta energy: -9.185
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: 9, replica: 7
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -191.901052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.901052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.901052 (E_RNA)
where:
Base-Base interactions energy: -113.948
where: short stacking energy: -56.775
Base-Backbone interact. energy: -0.128
local terms energy: -77.825616
where:
bonds (distance) C4'-P energy: -17.176
bonds (distance) P-C4' energy: -18.515
flat angles C4'-P-C4' energy: -18.333
flat angles P-C4'-P energy: -8.870
tors. eta vs tors. theta energy: -14.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -113.212308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.212308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.212308 (E_RNA)
where:
Base-Base interactions energy: -44.653
where: short stacking energy: -32.099
Base-Backbone interact. energy: 0.298
local terms energy: -68.856573
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -15.889
flat angles C4'-P-C4' energy: -17.872
flat angles P-C4'-P energy: -19.667
tors. eta vs tors. theta energy: 0.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -378.975741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.975741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.975741 (E_RNA)
where:
Base-Base interactions energy: -260.573
where: short stacking energy: -114.546
Base-Backbone interact. energy: 0.776
local terms energy: -119.178920
where:
bonds (distance) C4'-P energy: -20.578
bonds (distance) P-C4' energy: -22.865
flat angles C4'-P-C4' energy: -25.488
flat angles P-C4'-P energy: -17.309
tors. eta vs tors. theta energy: -32.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -356.369776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.369776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.369776 (E_RNA)
where:
Base-Base interactions energy: -235.586
where: short stacking energy: -112.300
Base-Backbone interact. energy: -0.069
local terms energy: -120.714908
where:
bonds (distance) C4'-P energy: -22.504
bonds (distance) P-C4' energy: -21.695
flat angles C4'-P-C4' energy: -22.582
flat angles P-C4'-P energy: -20.084
tors. eta vs tors. theta energy: -33.850
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: 3, replica: 3
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -297.316056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.316056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.316056 (E_RNA)
where:
Base-Base interactions energy: -195.138
where: short stacking energy: -100.913
Base-Backbone interact. energy: -0.133
local terms energy: -102.044659
where:
bonds (distance) C4'-P energy: -19.725
bonds (distance) P-C4' energy: -21.284
flat angles C4'-P-C4' energy: -21.367
flat angles P-C4'-P energy: -16.881
tors. eta vs tors. theta energy: -22.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -302.289514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.289514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.289514 (E_RNA)
where:
Base-Base interactions energy: -200.307
where: short stacking energy: -90.582
Base-Backbone interact. energy: -1.026
local terms energy: -100.957438
where:
bonds (distance) C4'-P energy: -22.853
bonds (distance) P-C4' energy: -16.137
flat angles C4'-P-C4' energy: -18.922
flat angles P-C4'-P energy: -18.289
tors. eta vs tors. theta energy: -24.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -264.384984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.384984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.384984 (E_RNA)
where:
Base-Base interactions energy: -163.139
where: short stacking energy: -80.652
Base-Backbone interact. energy: -0.150
local terms energy: -101.096299
where:
bonds (distance) C4'-P energy: -15.516
bonds (distance) P-C4' energy: -26.707
flat angles C4'-P-C4' energy: -27.832
flat angles P-C4'-P energy: -12.686
tors. eta vs tors. theta energy: -18.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -264.922351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.922351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.922351 (E_RNA)
where:
Base-Base interactions energy: -174.152
where: short stacking energy: -85.158
Base-Backbone interact. energy: -0.832
local terms energy: -89.938530
where:
bonds (distance) C4'-P energy: -27.563
bonds (distance) P-C4' energy: -17.240
flat angles C4'-P-C4' energy: -19.699
flat angles P-C4'-P energy: -9.418
tors. eta vs tors. theta energy: -16.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -268.034911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.034911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.034911 (E_RNA)
where:
Base-Base interactions energy: -178.034
where: short stacking energy: -79.220
Base-Backbone interact. energy: -0.242
local terms energy: -89.758665
where:
bonds (distance) C4'-P energy: -12.179
bonds (distance) P-C4' energy: -23.695
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -17.750
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: 8, replica: 10
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -236.628290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.628290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.628290 (E_RNA)
where:
Base-Base interactions energy: -151.239
where: short stacking energy: -67.427
Base-Backbone interact. energy: -1.151
local terms energy: -84.238129
where:
bonds (distance) C4'-P energy: -17.973
bonds (distance) P-C4' energy: -22.127
flat angles C4'-P-C4' energy: -19.118
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -13.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -216.250288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.250288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.250288 (E_RNA)
where:
Base-Base interactions energy: -137.793
where: short stacking energy: -59.574
Base-Backbone interact. energy: -0.204
local terms energy: -78.252387
where:
bonds (distance) C4'-P energy: -20.881
bonds (distance) P-C4' energy: -21.132
flat angles C4'-P-C4' energy: -19.564
flat angles P-C4'-P energy: -8.462
tors. eta vs tors. theta energy: -8.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -105.723021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.723021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.723021 (E_RNA)
where:
Base-Base interactions energy: -43.053
where: short stacking energy: -30.728
Base-Backbone interact. energy: -0.526
local terms energy: -62.143651
where:
bonds (distance) C4'-P energy: -18.284
bonds (distance) P-C4' energy: -22.371
flat angles C4'-P-C4' energy: -19.775
flat angles P-C4'-P energy: -7.058
tors. eta vs tors. theta energy: 5.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -366.206787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.206787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.206787 (E_RNA)
where:
Base-Base interactions energy: -257.797
where: short stacking energy: -115.378
Base-Backbone interact. energy: -0.029
local terms energy: -108.381179
where:
bonds (distance) C4'-P energy: -18.889
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -23.966
flat angles P-C4'-P energy: -16.627
tors. eta vs tors. theta energy: -33.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -341.847700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.847700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.847700 (E_RNA)
where:
Base-Base interactions energy: -232.551
where: short stacking energy: -102.453
Base-Backbone interact. energy: 0.115
local terms energy: -109.411939
where:
bonds (distance) C4'-P energy: -17.492
bonds (distance) P-C4' energy: -24.505
flat angles C4'-P-C4' energy: -20.673
flat angles P-C4'-P energy: -15.095
tors. eta vs tors. theta energy: -31.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -316.407573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.407573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.407573 (E_RNA)
where:
Base-Base interactions energy: -199.784
where: short stacking energy: -107.476
Base-Backbone interact. energy: -0.391
local terms energy: -116.231874
where:
bonds (distance) C4'-P energy: -23.108
bonds (distance) P-C4' energy: -21.002
flat angles C4'-P-C4' energy: -23.227
flat angles P-C4'-P energy: -16.343
tors. eta vs tors. theta energy: -32.551
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: 6
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -314.442399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.442399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.442399 (E_RNA)
where:
Base-Base interactions energy: -206.231
where: short stacking energy: -94.414
Base-Backbone interact. energy: -0.958
local terms energy: -107.253298
where:
bonds (distance) C4'-P energy: -21.519
bonds (distance) P-C4' energy: -21.491
flat angles C4'-P-C4' energy: -24.961
flat angles P-C4'-P energy: -13.727
tors. eta vs tors. theta energy: -25.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -278.930253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.930253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.930253 (E_RNA)
where:
Base-Base interactions energy: -175.273
where: short stacking energy: -88.121
Base-Backbone interact. energy: -0.103
local terms energy: -103.554014
where:
bonds (distance) C4'-P energy: -15.263
bonds (distance) P-C4' energy: -25.276
flat angles C4'-P-C4' energy: -22.563
flat angles P-C4'-P energy: -15.992
tors. eta vs tors. theta energy: -24.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -260.016632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.016632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.016632 (E_RNA)
where:
Base-Base interactions energy: -174.778
where: short stacking energy: -80.677
Base-Backbone interact. energy: -0.677
local terms energy: -84.561705
where:
bonds (distance) C4'-P energy: -18.448
bonds (distance) P-C4' energy: -11.778
flat angles C4'-P-C4' energy: -22.949
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: -21.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -254.554022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.554022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.554022 (E_RNA)
where:
Base-Base interactions energy: -167.936
where: short stacking energy: -78.118
Base-Backbone interact. energy: -0.054
local terms energy: -86.563828
where:
bonds (distance) C4'-P energy: -16.948
bonds (distance) P-C4' energy: -14.155
flat angles C4'-P-C4' energy: -24.605
flat angles P-C4'-P energy: -12.936
tors. eta vs tors. theta energy: -17.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -239.350411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.350411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.350411 (E_RNA)
where:
Base-Base interactions energy: -152.562
where: short stacking energy: -69.974
Base-Backbone interact. energy: 0.666
local terms energy: -87.454720
where:
bonds (distance) C4'-P energy: -12.846
bonds (distance) P-C4' energy: -24.118
flat angles C4'-P-C4' energy: -21.706
flat angles P-C4'-P energy: -13.725
tors. eta vs tors. theta energy: -15.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -206.440739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.440739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.440739 (E_RNA)
where:
Base-Base interactions energy: -129.971
where: short stacking energy: -55.173
Base-Backbone interact. energy: -0.445
local terms energy: -76.025163
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -22.172
flat angles C4'-P-C4' energy: -14.201
flat angles P-C4'-P energy: -16.968
tors. eta vs tors. theta energy: -6.415
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: 2
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -111.902699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.902699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.902699 (E_RNA)
where:
Base-Base interactions energy: -40.280
where: short stacking energy: -35.556
Base-Backbone interact. energy: -0.372
local terms energy: -71.250630
where:
bonds (distance) C4'-P energy: -18.705
bonds (distance) P-C4' energy: -22.387
flat angles C4'-P-C4' energy: -12.976
flat angles P-C4'-P energy: -16.687
tors. eta vs tors. theta energy: -0.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -368.071508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.071508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.071508 (E_RNA)
where:
Base-Base interactions energy: -240.939
where: short stacking energy: -112.589
Base-Backbone interact. energy: -0.313
local terms energy: -126.819893
where:
bonds (distance) C4'-P energy: -20.696
bonds (distance) P-C4' energy: -24.778
flat angles C4'-P-C4' energy: -27.341
flat angles P-C4'-P energy: -18.094
tors. eta vs tors. theta energy: -35.911
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: 4
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -334.194420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.194420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.194420 (E_RNA)
where:
Base-Base interactions energy: -225.779
where: short stacking energy: -84.846
Base-Backbone interact. energy: -1.330
local terms energy: -107.085491
where:
bonds (distance) C4'-P energy: -24.983
bonds (distance) P-C4' energy: -26.323
flat angles C4'-P-C4' energy: -21.162
flat angles P-C4'-P energy: -14.261
tors. eta vs tors. theta energy: -20.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -316.969037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.969037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.969037 (E_RNA)
where:
Base-Base interactions energy: -212.323
where: short stacking energy: -95.587
Base-Backbone interact. energy: 1.262
local terms energy: -105.907793
where:
bonds (distance) C4'-P energy: -22.881
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -19.651
flat angles P-C4'-P energy: -18.817
tors. eta vs tors. theta energy: -27.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -281.306894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.306894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.306894 (E_RNA)
where:
Base-Base interactions energy: -179.566
where: short stacking energy: -96.193
Base-Backbone interact. energy: -0.043
local terms energy: -101.698245
where:
bonds (distance) C4'-P energy: -22.189
bonds (distance) P-C4' energy: -19.382
flat angles C4'-P-C4' energy: -20.898
flat angles P-C4'-P energy: -17.759
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: 5, replica: 1
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -277.209664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.209664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.209664 (E_RNA)
where:
Base-Base interactions energy: -177.379
where: short stacking energy: -83.643
Base-Backbone interact. energy: -0.322
local terms energy: -99.508817
where:
bonds (distance) C4'-P energy: -22.041
bonds (distance) P-C4' energy: -22.474
flat angles C4'-P-C4' energy: -19.058
flat angles P-C4'-P energy: -15.432
tors. eta vs tors. theta energy: -20.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -246.752322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.752322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.752322 (E_RNA)
where:
Base-Base interactions energy: -149.883
where: short stacking energy: -64.614
Base-Backbone interact. energy: -0.025
local terms energy: -96.844748
where:
bonds (distance) C4'-P energy: -20.963
bonds (distance) P-C4' energy: -25.143
flat angles C4'-P-C4' energy: -23.467
flat angles P-C4'-P energy: -16.814
tors. eta vs tors. theta energy: -10.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -213.176381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.176381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.176381 (E_RNA)
where:
Base-Base interactions energy: -135.916
where: short stacking energy: -55.488
Base-Backbone interact. energy: 0.257
local terms energy: -77.517518
where:
bonds (distance) C4'-P energy: -18.206
bonds (distance) P-C4' energy: -25.642
flat angles C4'-P-C4' energy: -12.256
flat angles P-C4'-P energy: -15.057
tors. eta vs tors. theta energy: -6.357
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: 8
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -239.300898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.300898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.300898 (E_RNA)
where:
Base-Base interactions energy: -154.237
where: short stacking energy: -58.599
Base-Backbone interact. energy: -0.451
local terms energy: -84.612601
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -23.347
flat angles C4'-P-C4' energy: -22.707
flat angles P-C4'-P energy: -13.484
tors. eta vs tors. theta energy: -9.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -250.619112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.619112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.619112 (E_RNA)
where:
Base-Base interactions energy: -157.871
where: short stacking energy: -81.864
Base-Backbone interact. energy: 0.010
local terms energy: -92.758022
where:
bonds (distance) C4'-P energy: -14.535
bonds (distance) P-C4' energy: -23.621
flat angles C4'-P-C4' energy: -23.233
flat angles P-C4'-P energy: -11.119
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: 10, replica: 2
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -112.497396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.497396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.497396 (E_RNA)
where:
Base-Base interactions energy: -38.585
where: short stacking energy: -31.805
Base-Backbone interact. energy: -0.795
local terms energy: -73.117497
where:
bonds (distance) C4'-P energy: -19.354
bonds (distance) P-C4' energy: -18.432
flat angles C4'-P-C4' energy: -20.758
flat angles P-C4'-P energy: -12.649
tors. eta vs tors. theta energy: -1.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -373.112227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.112227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.112227 (E_RNA)
where:
Base-Base interactions energy: -251.418
where: short stacking energy: -119.153
Base-Backbone interact. energy: -0.025
local terms energy: -121.669892
where:
bonds (distance) C4'-P energy: -22.003
bonds (distance) P-C4' energy: -21.133
flat angles C4'-P-C4' energy: -23.349
flat angles P-C4'-P energy: -19.082
tors. eta vs tors. theta energy: -36.103
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: 2, replica: 4
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -349.874291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.874291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.874291 (E_RNA)
where:
Base-Base interactions energy: -245.950
where: short stacking energy: -98.554
Base-Backbone interact. energy: -0.413
local terms energy: -103.511445
where:
bonds (distance) C4'-P energy: -20.603
bonds (distance) P-C4' energy: -21.151
flat angles C4'-P-C4' energy: -19.436
flat angles P-C4'-P energy: -12.087
tors. eta vs tors. theta energy: -30.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -304.849518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.849518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.849518 (E_RNA)
where:
Base-Base interactions energy: -202.527
where: short stacking energy: -84.738
Base-Backbone interact. energy: -0.496
local terms energy: -101.827048
where:
bonds (distance) C4'-P energy: -19.280
bonds (distance) P-C4' energy: -17.600
flat angles C4'-P-C4' energy: -23.924
flat angles P-C4'-P energy: -18.421
tors. eta vs tors. theta energy: -22.601
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: 4, replica: 1
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -291.146732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.146732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.146732 (E_RNA)
where:
Base-Base interactions energy: -184.243
where: short stacking energy: -89.948
Base-Backbone interact. energy: -0.019
local terms energy: -106.884836
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -26.818
flat angles C4'-P-C4' energy: -24.907
flat angles P-C4'-P energy: -21.222
tors. eta vs tors. theta energy: -21.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -271.709487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.709487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.709487 (E_RNA)
where:
Base-Base interactions energy: -168.156
where: short stacking energy: -76.973
Base-Backbone interact. energy: -0.149
local terms energy: -103.404823
where:
bonds (distance) C4'-P energy: -19.212
bonds (distance) P-C4' energy: -26.473
flat angles C4'-P-C4' energy: -23.203
flat angles P-C4'-P energy: -17.872
tors. eta vs tors. theta energy: -16.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -256.733168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.733168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.733168 (E_RNA)
where:
Base-Base interactions energy: -160.503
where: short stacking energy: -79.289
Base-Backbone interact. energy: -0.088
local terms energy: -96.141501
where:
bonds (distance) C4'-P energy: -17.995
bonds (distance) P-C4' energy: -24.136
flat angles C4'-P-C4' energy: -22.358
flat angles P-C4'-P energy: -16.900
tors. eta vs tors. theta energy: -14.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -202.428097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.428097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.428097 (E_RNA)
where:
Base-Base interactions energy: -116.878
where: short stacking energy: -57.715
Base-Backbone interact. energy: 0.405
local terms energy: -85.955273
where:
bonds (distance) C4'-P energy: -17.983
bonds (distance) P-C4' energy: -20.966
flat angles C4'-P-C4' energy: -22.270
flat angles P-C4'-P energy: -16.375
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: 7
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -247.331102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.331102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.331102 (E_RNA)
where:
Base-Base interactions energy: -157.936
where: short stacking energy: -75.416
Base-Backbone interact. energy: 0.042
local terms energy: -89.436708
where:
bonds (distance) C4'-P energy: -15.467
bonds (distance) P-C4' energy: -19.173
flat angles C4'-P-C4' energy: -23.284
flat angles P-C4'-P energy: -12.483
tors. eta vs tors. theta energy: -19.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -229.789415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.789415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.789415 (E_RNA)
where:
Base-Base interactions energy: -149.475
where: short stacking energy: -61.933
Base-Backbone interact. energy: 2.775
local terms energy: -83.088886
where:
bonds (distance) C4'-P energy: -20.526
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -24.384
flat angles P-C4'-P energy: -12.075
tors. eta vs tors. theta energy: -9.043
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: 2
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -104.309600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.309600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.309600 (E_RNA)
where:
Base-Base interactions energy: -38.244
where: short stacking energy: -33.090
Base-Backbone interact. energy: -0.585
local terms energy: -65.480378
where:
bonds (distance) C4'-P energy: -18.603
bonds (distance) P-C4' energy: -18.121
flat angles C4'-P-C4' energy: -15.511
flat angles P-C4'-P energy: -13.551
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: 1, replica: 4
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -352.142198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.142198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.142198 (E_RNA)
where:
Base-Base interactions energy: -237.050
where: short stacking energy: -109.911
Base-Backbone interact. energy: -0.054
local terms energy: -115.038290
where:
bonds (distance) C4'-P energy: -22.185
bonds (distance) P-C4' energy: -21.058
flat angles C4'-P-C4' energy: -22.298
flat angles P-C4'-P energy: -19.436
tors. eta vs tors. theta energy: -30.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -366.153876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.153876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.153876 (E_RNA)
where:
Base-Base interactions energy: -260.802
where: short stacking energy: -115.584
Base-Backbone interact. energy: -0.641
local terms energy: -104.711175
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -24.568
flat angles P-C4'-P energy: -12.467
tors. eta vs tors. theta energy: -35.719
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: 6
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -298.420564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.420564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.420564 (E_RNA)
where:
Base-Base interactions energy: -193.444
where: short stacking energy: -87.237
Base-Backbone interact. energy: 1.426
local terms energy: -106.402837
where:
bonds (distance) C4'-P energy: -22.616
bonds (distance) P-C4' energy: -25.005
flat angles C4'-P-C4' energy: -21.912
flat angles P-C4'-P energy: -19.442
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: 1
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -262.079530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.079530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.079530 (E_RNA)
where:
Base-Base interactions energy: -170.801
where: short stacking energy: -74.883
Base-Backbone interact. energy: -0.174
local terms energy: -91.104217
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -26.177
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -17.719
tors. eta vs tors. theta energy: -15.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -277.309763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.309763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.309763 (E_RNA)
where:
Base-Base interactions energy: -176.137
where: short stacking energy: -74.106
Base-Backbone interact. energy: -1.734
local terms energy: -99.438747
where:
bonds (distance) C4'-P energy: -18.411
bonds (distance) P-C4' energy: -23.789
flat angles C4'-P-C4' energy: -22.467
flat angles P-C4'-P energy: -15.041
tors. eta vs tors. theta energy: -19.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -247.402155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.402155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.402155 (E_RNA)
where:
Base-Base interactions energy: -157.694
where: short stacking energy: -73.952
Base-Backbone interact. energy: -1.518
local terms energy: -88.190231
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -20.610
flat angles C4'-P-C4' energy: -19.351
flat angles P-C4'-P energy: -13.937
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: 7, replica: 7
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -245.775431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.775431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.775431 (E_RNA)
where:
Base-Base interactions energy: -158.309
where: short stacking energy: -70.362
Base-Backbone interact. energy: -0.244
local terms energy: -87.222018
where:
bonds (distance) C4'-P energy: -24.806
bonds (distance) P-C4' energy: -18.212
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -12.785
tors. eta vs tors. theta energy: -17.113
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: 358
Temperature: 1.250000
Total energy: -190.491891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.491891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.491891 (E_RNA)
where:
Base-Base interactions energy: -105.138
where: short stacking energy: -48.104
Base-Backbone interact. energy: 1.001
local terms energy: -86.355287
where:
bonds (distance) C4'-P energy: -22.814
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -24.941
flat angles P-C4'-P energy: -11.811
tors. eta vs tors. theta energy: -8.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -219.654065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.654065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.654065 (E_RNA)
where:
Base-Base interactions energy: -132.675
where: short stacking energy: -66.050
Base-Backbone interact. energy: -0.446
local terms energy: -86.532783
where:
bonds (distance) C4'-P energy: -22.565
bonds (distance) P-C4' energy: -23.529
flat angles C4'-P-C4' energy: -18.002
flat angles P-C4'-P energy: -14.820
tors. eta vs tors. theta energy: -7.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -100.978756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.978756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.978756 (E_RNA)
where:
Base-Base interactions energy: -37.001
where: short stacking energy: -34.026
Base-Backbone interact. energy: -0.649
local terms energy: -63.329545
where:
bonds (distance) C4'-P energy: -24.024
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -11.368
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: -1.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -364.661878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.661878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.661878 (E_RNA)
where:
Base-Base interactions energy: -247.821
where: short stacking energy: -110.936
Base-Backbone interact. energy: -0.462
local terms energy: -116.379573
where:
bonds (distance) C4'-P energy: -21.874
bonds (distance) P-C4' energy: -24.086
flat angles C4'-P-C4' energy: -23.104
flat angles P-C4'-P energy: -14.808
tors. eta vs tors. theta energy: -32.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -366.362489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.362489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.362489 (E_RNA)
where:
Base-Base interactions energy: -254.207
where: short stacking energy: -104.971
Base-Backbone interact. energy: -0.108
local terms energy: -112.047121
where:
bonds (distance) C4'-P energy: -22.036
bonds (distance) P-C4' energy: -20.900
flat angles C4'-P-C4' energy: -25.217
flat angles P-C4'-P energy: -12.694
tors. eta vs tors. theta energy: -31.200
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: 359
Temperature: 1.000000
Total energy: -298.270648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.270648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.270648 (E_RNA)
where:
Base-Base interactions energy: -192.873
where: short stacking energy: -90.955
Base-Backbone interact. energy: -0.267
local terms energy: -105.130561
where:
bonds (distance) C4'-P energy: -22.918
bonds (distance) P-C4' energy: -23.759
flat angles C4'-P-C4' energy: -24.229
flat angles P-C4'-P energy: -15.686
tors. eta vs tors. theta energy: -18.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -280.008998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.008998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.008998 (E_RNA)
where:
Base-Base interactions energy: -175.447
where: short stacking energy: -87.063
Base-Backbone interact. energy: -0.894
local terms energy: -103.668368
where:
bonds (distance) C4'-P energy: -23.369
bonds (distance) P-C4' energy: -24.330
flat angles C4'-P-C4' energy: -21.003
flat angles P-C4'-P energy: -14.409
tors. eta vs tors. theta energy: -20.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -274.599036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.599036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.599036 (E_RNA)
where:
Base-Base interactions energy: -174.523
where: short stacking energy: -79.585
Base-Backbone interact. energy: -0.370
local terms energy: -99.706265
where:
bonds (distance) C4'-P energy: -21.804
bonds (distance) P-C4' energy: -20.424
flat angles C4'-P-C4' energy: -24.439
flat angles P-C4'-P energy: -15.765
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: 6, replica: 7
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -259.394474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.394474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.394474 (E_RNA)
where:
Base-Base interactions energy: -177.757
where: short stacking energy: -69.227
Base-Backbone interact. energy: -0.857
local terms energy: -80.781036
where:
bonds (distance) C4'-P energy: -21.037
bonds (distance) P-C4' energy: -19.338
flat angles C4'-P-C4' energy: -19.519
flat angles P-C4'-P energy: -8.254
tors. eta vs tors. theta energy: -12.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -251.207173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.207173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.207173 (E_RNA)
where:
Base-Base interactions energy: -167.721
where: short stacking energy: -72.215
Base-Backbone interact. energy: 0.518
local terms energy: -84.004376
where:
bonds (distance) C4'-P energy: -18.458
bonds (distance) P-C4' energy: -17.871
flat angles C4'-P-C4' energy: -23.096
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: -14.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -215.123809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.123809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.123809 (E_RNA)
where:
Base-Base interactions energy: -137.145
where: short stacking energy: -54.548
Base-Backbone interact. energy: -0.851
local terms energy: -77.127537
where:
bonds (distance) C4'-P energy: -21.016
bonds (distance) P-C4' energy: -17.161
flat angles C4'-P-C4' energy: -19.729
flat angles P-C4'-P energy: -12.808
tors. eta vs tors. theta energy: -6.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -201.640168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.640168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.640168 (E_RNA)
where:
Base-Base interactions energy: -124.593
where: short stacking energy: -61.862
Base-Backbone interact. energy: -0.428
local terms energy: -76.620005
where:
bonds (distance) C4'-P energy: -18.974
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -20.205
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: -9.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -104.778921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.778921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.778921 (E_RNA)
where:
Base-Base interactions energy: -31.939
where: short stacking energy: -32.739
Base-Backbone interact. energy: -0.141
local terms energy: -72.698439
where:
bonds (distance) C4'-P energy: -18.582
bonds (distance) P-C4' energy: -22.256
flat angles C4'-P-C4' energy: -20.866
flat angles P-C4'-P energy: -7.163
tors. eta vs tors. theta energy: -3.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -369.699521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.699521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.699521 (E_RNA)
where:
Base-Base interactions energy: -249.288
where: short stacking energy: -106.862
Base-Backbone interact. energy: -0.077
local terms energy: -120.334471
where:
bonds (distance) C4'-P energy: -24.843
bonds (distance) P-C4' energy: -23.955
flat angles C4'-P-C4' energy: -24.847
flat angles P-C4'-P energy: -14.051
tors. eta vs tors. theta energy: -32.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -336.695178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.695178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.695178 (E_RNA)
where:
Base-Base interactions energy: -219.026
where: short stacking energy: -100.300
Base-Backbone interact. energy: 0.305
local terms energy: -117.974574
where:
bonds (distance) C4'-P energy: -23.450
bonds (distance) P-C4' energy: -25.345
flat angles C4'-P-C4' energy: -19.510
flat angles P-C4'-P energy: -18.427
tors. eta vs tors. theta energy: -31.243
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: 6
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -315.212808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.212808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.212808 (E_RNA)
where:
Base-Base interactions energy: -205.376
where: short stacking energy: -97.292
Base-Backbone interact. energy: -0.467
local terms energy: -109.369944
where:
bonds (distance) C4'-P energy: -24.210
bonds (distance) P-C4' energy: -21.189
flat angles C4'-P-C4' energy: -26.825
flat angles P-C4'-P energy: -14.944
tors. eta vs tors. theta energy: -22.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -290.041707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.041707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.041707 (E_RNA)
where:
Base-Base interactions energy: -191.341
where: short stacking energy: -92.372
Base-Backbone interact. energy: -0.032
local terms energy: -98.668986
where:
bonds (distance) C4'-P energy: -22.396
bonds (distance) P-C4' energy: -19.667
flat angles C4'-P-C4' energy: -22.230
flat angles P-C4'-P energy: -12.628
tors. eta vs tors. theta energy: -21.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -281.193978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.193978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.193978 (E_RNA)
where:
Base-Base interactions energy: -181.916
where: short stacking energy: -99.020
Base-Backbone interact. energy: -0.051
local terms energy: -99.226785
where:
bonds (distance) C4'-P energy: -17.081
bonds (distance) P-C4' energy: -20.234
flat angles C4'-P-C4' energy: -22.660
flat angles P-C4'-P energy: -14.004
tors. eta vs tors. theta energy: -25.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -282.470973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.470973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.470973 (E_RNA)
where:
Base-Base interactions energy: -170.451
where: short stacking energy: -72.072
Base-Backbone interact. energy: -0.538
local terms energy: -111.481489
where:
bonds (distance) C4'-P energy: -27.434
bonds (distance) P-C4' energy: -19.588
flat angles C4'-P-C4' energy: -25.340
flat angles P-C4'-P energy: -16.893
tors. eta vs tors. theta energy: -22.226
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: 9
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -252.725544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.725544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.725544 (E_RNA)
where:
Base-Base interactions energy: -174.805
where: short stacking energy: -79.332
Base-Backbone interact. energy: -0.709
local terms energy: -77.211280
where:
bonds (distance) C4'-P energy: -9.017
bonds (distance) P-C4' energy: -21.148
flat angles C4'-P-C4' energy: -19.404
flat angles P-C4'-P energy: -11.081
tors. eta vs tors. theta energy: -16.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -194.800558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.800558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.800558 (E_RNA)
where:
Base-Base interactions energy: -109.497
where: short stacking energy: -50.120
Base-Backbone interact. energy: -0.395
local terms energy: -84.908198
where:
bonds (distance) C4'-P energy: -18.554
bonds (distance) P-C4' energy: -28.207
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -15.692
tors. eta vs tors. theta energy: -7.083
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: 10
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -216.560035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.560035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.560035 (E_RNA)
where:
Base-Base interactions energy: -134.354
where: short stacking energy: -63.803
Base-Backbone interact. energy: -0.469
local terms energy: -81.736538
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -23.430
flat angles C4'-P-C4' energy: -21.353
flat angles P-C4'-P energy: -9.328
tors. eta vs tors. theta energy: -12.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -112.771101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.771101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.771101 (E_RNA)
where:
Base-Base interactions energy: -45.431
where: short stacking energy: -36.716
Base-Backbone interact. energy: -0.059
local terms energy: -67.281451
where:
bonds (distance) C4'-P energy: -17.541
bonds (distance) P-C4' energy: -18.367
flat angles C4'-P-C4' energy: -21.869
flat angles P-C4'-P energy: -8.928
tors. eta vs tors. theta energy: -0.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -368.951450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.951450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.951450 (E_RNA)
where:
Base-Base interactions energy: -255.198
where: short stacking energy: -100.051
Base-Backbone interact. energy: -0.120
local terms energy: -113.633277
where:
bonds (distance) C4'-P energy: -22.546
bonds (distance) P-C4' energy: -19.283
flat angles C4'-P-C4' energy: -23.709
flat angles P-C4'-P energy: -16.539
tors. eta vs tors. theta energy: -31.558
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: 4
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -343.499063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.499063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.499063 (E_RNA)
where:
Base-Base interactions energy: -226.583
where: short stacking energy: -96.934
Base-Backbone interact. energy: -0.368
local terms energy: -116.548028
where:
bonds (distance) C4'-P energy: -24.432
bonds (distance) P-C4' energy: -22.308
flat angles C4'-P-C4' energy: -27.212
flat angles P-C4'-P energy: -16.964
tors. eta vs tors. theta energy: -25.632
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: 6
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -307.194040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.194040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.194040 (E_RNA)
where:
Base-Base interactions energy: -201.257
where: short stacking energy: -89.341
Base-Backbone interact. energy: -0.255
local terms energy: -105.682558
where:
bonds (distance) C4'-P energy: -21.142
bonds (distance) P-C4' energy: -24.372
flat angles C4'-P-C4' energy: -23.150
flat angles P-C4'-P energy: -14.243
tors. eta vs tors. theta energy: -22.776
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: 3
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -274.858962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.858962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.858962 (E_RNA)
where:
Base-Base interactions energy: -174.162
where: short stacking energy: -78.574
Base-Backbone interact. energy: -0.125
local terms energy: -100.572423
where:
bonds (distance) C4'-P energy: -22.512
bonds (distance) P-C4' energy: -22.111
flat angles C4'-P-C4' energy: -18.026
flat angles P-C4'-P energy: -16.706
tors. eta vs tors. theta energy: -21.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -292.064527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.064527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.064527 (E_RNA)
where:
Base-Base interactions energy: -182.922
where: short stacking energy: -94.342
Base-Backbone interact. energy: -0.136
local terms energy: -109.006710
where:
bonds (distance) C4'-P energy: -24.383
bonds (distance) P-C4' energy: -24.822
flat angles C4'-P-C4' energy: -18.357
flat angles P-C4'-P energy: -15.934
tors. eta vs tors. theta energy: -25.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -292.105465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.105465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.105465 (E_RNA)
where:
Base-Base interactions energy: -191.516
where: short stacking energy: -100.010
Base-Backbone interact. energy: -0.538
local terms energy: -100.051888
where:
bonds (distance) C4'-P energy: -18.240
bonds (distance) P-C4' energy: -20.671
flat angles C4'-P-C4' energy: -18.264
flat angles P-C4'-P energy: -15.759
tors. eta vs tors. theta energy: -27.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -258.392587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.392587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.392587 (E_RNA)
where:
Base-Base interactions energy: -163.183
where: short stacking energy: -79.718
Base-Backbone interact. energy: -0.109
local terms energy: -95.100003
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -24.882
flat angles C4'-P-C4' energy: -21.594
flat angles P-C4'-P energy: -16.425
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: 8, replica: 10
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -212.421360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.421360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.421360 (E_RNA)
where:
Base-Base interactions energy: -127.916
where: short stacking energy: -60.294
Base-Backbone interact. energy: -0.047
local terms energy: -84.457940
where:
bonds (distance) C4'-P energy: -21.460
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -21.719
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: -14.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -215.251826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.251826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.251826 (E_RNA)
where:
Base-Base interactions energy: -137.284
where: short stacking energy: -69.894
Base-Backbone interact. energy: -0.179
local terms energy: -77.789527
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -16.933
flat angles C4'-P-C4' energy: -19.870
flat angles P-C4'-P energy: -15.032
tors. eta vs tors. theta energy: -13.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -113.783341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.783341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.783341 (E_RNA)
where:
Base-Base interactions energy: -48.894
where: short stacking energy: -38.340
Base-Backbone interact. energy: -0.844
local terms energy: -64.045177
where:
bonds (distance) C4'-P energy: -22.148
bonds (distance) P-C4' energy: -18.627
flat angles C4'-P-C4' energy: -16.243
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: 2.799
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: 5
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -369.072310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.072310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.072310 (E_RNA)
where:
Base-Base interactions energy: -248.405
where: short stacking energy: -107.896
Base-Backbone interact. energy: -0.791
local terms energy: -119.876758
where:
bonds (distance) C4'-P energy: -21.403
bonds (distance) P-C4' energy: -27.406
flat angles C4'-P-C4' energy: -25.511
flat angles P-C4'-P energy: -13.104
tors. eta vs tors. theta energy: -32.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -351.953908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.953908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.953908 (E_RNA)
where:
Base-Base interactions energy: -232.583
where: short stacking energy: -107.201
Base-Backbone interact. energy: -0.699
local terms energy: -118.672254
where:
bonds (distance) C4'-P energy: -24.970
bonds (distance) P-C4' energy: -21.543
flat angles C4'-P-C4' energy: -17.287
flat angles P-C4'-P energy: -18.213
tors. eta vs tors. theta energy: -36.659
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: 3, replica: 3
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -272.744598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.744598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.744598 (E_RNA)
where:
Base-Base interactions energy: -178.974
where: short stacking energy: -86.587
Base-Backbone interact. energy: -0.852
local terms energy: -92.918708
where:
bonds (distance) C4'-P energy: -18.510
bonds (distance) P-C4' energy: -19.177
flat angles C4'-P-C4' energy: -26.905
flat angles P-C4'-P energy: -11.371
tors. eta vs tors. theta energy: -16.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -284.392426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.392426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.392426 (E_RNA)
where:
Base-Base interactions energy: -180.450
where: short stacking energy: -84.519
Base-Backbone interact. energy: -1.057
local terms energy: -102.885274
where:
bonds (distance) C4'-P energy: -24.930
bonds (distance) P-C4' energy: -19.548
flat angles C4'-P-C4' energy: -25.207
flat angles P-C4'-P energy: -17.841
tors. eta vs tors. theta energy: -15.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -267.545432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.545432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.545432 (E_RNA)
where:
Base-Base interactions energy: -176.766
where: short stacking energy: -77.177
Base-Backbone interact. energy: 5.684
local terms energy: -96.462955
where:
bonds (distance) C4'-P energy: -20.119
bonds (distance) P-C4' energy: -17.174
flat angles C4'-P-C4' energy: -25.093
flat angles P-C4'-P energy: -14.584
tors. eta vs tors. theta energy: -19.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -265.433944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.433944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.433944 (E_RNA)
where:
Base-Base interactions energy: -170.841
where: short stacking energy: -88.841
Base-Backbone interact. energy: -0.202
local terms energy: -94.390752
where:
bonds (distance) C4'-P energy: -19.850
bonds (distance) P-C4' energy: -18.262
flat angles C4'-P-C4' energy: -19.198
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -26.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -254.248840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.248840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.248840 (E_RNA)
where:
Base-Base interactions energy: -160.981
where: short stacking energy: -77.380
Base-Backbone interact. energy: 0.257
local terms energy: -93.524987
where:
bonds (distance) C4'-P energy: -19.799
bonds (distance) P-C4' energy: -18.831
flat angles C4'-P-C4' energy: -19.422
flat angles P-C4'-P energy: -13.106
tors. eta vs tors. theta energy: -22.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -194.409050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.409050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.409050 (E_RNA)
where:
Base-Base interactions energy: -114.891
where: short stacking energy: -59.157
Base-Backbone interact. energy: 1.562
local terms energy: -81.079628
where:
bonds (distance) C4'-P energy: -21.547
bonds (distance) P-C4' energy: -23.213
flat angles C4'-P-C4' energy: -19.198
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -6.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -206.934612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.934612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.934612 (E_RNA)
where:
Base-Base interactions energy: -123.558
where: short stacking energy: -59.885
Base-Backbone interact. energy: 0.137
local terms energy: -83.512992
where:
bonds (distance) C4'-P energy: -17.818
bonds (distance) P-C4' energy: -20.847
flat angles C4'-P-C4' energy: -23.434
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -10.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -116.883185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.883185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.883185 (E_RNA)
where:
Base-Base interactions energy: -36.564
where: short stacking energy: -33.829
Base-Backbone interact. energy: -0.180
local terms energy: -80.138510
where:
bonds (distance) C4'-P energy: -22.488
bonds (distance) P-C4' energy: -18.115
flat angles C4'-P-C4' energy: -19.122
flat angles P-C4'-P energy: -11.349
tors. eta vs tors. theta energy: -9.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -381.628081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.628081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.628081 (E_RNA)
where:
Base-Base interactions energy: -251.155
where: short stacking energy: -114.580
Base-Backbone interact. energy: -0.015
local terms energy: -130.458304
where:
bonds (distance) C4'-P energy: -24.055
bonds (distance) P-C4' energy: -24.700
flat angles C4'-P-C4' energy: -27.385
flat angles P-C4'-P energy: -19.993
tors. eta vs tors. theta energy: -34.325
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: 2, replica: 4
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -349.876011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.876011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.876011 (E_RNA)
where:
Base-Base interactions energy: -234.554
where: short stacking energy: -110.053
Base-Backbone interact. energy: -0.167
local terms energy: -115.155568
where:
bonds (distance) C4'-P energy: -24.158
bonds (distance) P-C4' energy: -14.346
flat angles C4'-P-C4' energy: -22.020
flat angles P-C4'-P energy: -20.631
tors. eta vs tors. theta energy: -34.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -284.492154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.492154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.492154 (E_RNA)
where:
Base-Base interactions energy: -177.711
where: short stacking energy: -73.899
Base-Backbone interact. energy: -0.753
local terms energy: -106.028553
where:
bonds (distance) C4'-P energy: -23.588
bonds (distance) P-C4' energy: -18.678
flat angles C4'-P-C4' energy: -23.747
flat angles P-C4'-P energy: -17.458
tors. eta vs tors. theta energy: -22.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -285.277424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.277424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.277424 (E_RNA)
where:
Base-Base interactions energy: -192.131
where: short stacking energy: -84.226
Base-Backbone interact. energy: -0.128
local terms energy: -93.018550
where:
bonds (distance) C4'-P energy: -22.547
bonds (distance) P-C4' energy: -19.197
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -16.642
tors. eta vs tors. theta energy: -18.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -277.378589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.378589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.378589 (E_RNA)
where:
Base-Base interactions energy: -176.067
where: short stacking energy: -86.428
Base-Backbone interact. energy: -0.127
local terms energy: -101.184737
where:
bonds (distance) C4'-P energy: -22.715
bonds (distance) P-C4' energy: -20.831
flat angles C4'-P-C4' energy: -17.770
flat angles P-C4'-P energy: -12.249
tors. eta vs tors. theta energy: -27.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -261.846055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.846055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.846055 (E_RNA)
where:
Base-Base interactions energy: -158.032
where: short stacking energy: -76.339
Base-Backbone interact. energy: -0.088
local terms energy: -103.726436
where:
bonds (distance) C4'-P energy: -20.471
bonds (distance) P-C4' energy: -24.129
flat angles C4'-P-C4' energy: -23.185
flat angles P-C4'-P energy: -15.745
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: 7, replica: 9
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -234.703266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.703266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.703266 (E_RNA)
where:
Base-Base interactions energy: -149.899
where: short stacking energy: -59.459
Base-Backbone interact. energy: -0.553
local terms energy: -84.251513
where:
bonds (distance) C4'-P energy: -21.617
bonds (distance) P-C4' energy: -23.328
flat angles C4'-P-C4' energy: -18.269
flat angles P-C4'-P energy: -14.014
tors. eta vs tors. theta energy: -7.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -199.603088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.603088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.603088 (E_RNA)
where:
Base-Base interactions energy: -121.645
where: short stacking energy: -52.371
Base-Backbone interact. energy: -1.296
local terms energy: -76.662313
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -19.154
flat angles C4'-P-C4' energy: -19.616
flat angles P-C4'-P energy: -14.109
tors. eta vs tors. theta energy: -6.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -205.673228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.673228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.673228 (E_RNA)
where:
Base-Base interactions energy: -124.261
where: short stacking energy: -66.580
Base-Backbone interact. energy: -0.159
local terms energy: -81.253244
where:
bonds (distance) C4'-P energy: -16.699
bonds (distance) P-C4' energy: -16.468
flat angles C4'-P-C4' energy: -22.286
flat angles P-C4'-P energy: -14.403
tors. eta vs tors. theta energy: -11.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -109.565573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.565573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.565573 (E_RNA)
where:
Base-Base interactions energy: -49.699
where: short stacking energy: -36.173
Base-Backbone interact. energy: 0.488
local terms energy: -60.354636
where:
bonds (distance) C4'-P energy: -16.626
bonds (distance) P-C4' energy: -18.108
flat angles C4'-P-C4' energy: -19.283
flat angles P-C4'-P energy: -3.363
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: 1, replica: 5
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -367.948800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.948800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.948800 (E_RNA)
where:
Base-Base interactions energy: -256.776
where: short stacking energy: -119.693
Base-Backbone interact. energy: -0.126
local terms energy: -111.047190
where:
bonds (distance) C4'-P energy: -16.211
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -22.738
flat angles P-C4'-P energy: -20.247
tors. eta vs tors. theta energy: -33.892
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: 2, replica: 4
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -352.802567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.802567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.802567 (E_RNA)
where:
Base-Base interactions energy: -234.771
where: short stacking energy: -101.222
Base-Backbone interact. energy: 0.603
local terms energy: -118.634684
where:
bonds (distance) C4'-P energy: -21.512
bonds (distance) P-C4' energy: -25.925
flat angles C4'-P-C4' energy: -26.332
flat angles P-C4'-P energy: -14.944
tors. eta vs tors. theta energy: -29.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -283.392571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.392571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.392571 (E_RNA)
where:
Base-Base interactions energy: -192.472
where: short stacking energy: -92.832
Base-Backbone interact. energy: -0.168
local terms energy: -90.752802
where:
bonds (distance) C4'-P energy: -20.128
bonds (distance) P-C4' energy: -17.775
flat angles C4'-P-C4' energy: -17.950
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: -22.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -282.928936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.928936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.928936 (E_RNA)
where:
Base-Base interactions energy: -183.455
where: short stacking energy: -79.331
Base-Backbone interact. energy: -0.312
local terms energy: -99.162145
where:
bonds (distance) C4'-P energy: -17.179
bonds (distance) P-C4' energy: -24.848
flat angles C4'-P-C4' energy: -24.002
flat angles P-C4'-P energy: -12.314
tors. eta vs tors. theta energy: -20.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -282.565133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.565133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.565133 (E_RNA)
where:
Base-Base interactions energy: -180.762
where: short stacking energy: -86.476
Base-Backbone interact. energy: -0.169
local terms energy: -101.633579
where:
bonds (distance) C4'-P energy: -19.974
bonds (distance) P-C4' energy: -24.170
flat angles C4'-P-C4' energy: -21.857
flat angles P-C4'-P energy: -13.279
tors. eta vs tors. theta energy: -22.354
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: 6
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -270.834522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.834522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.834522 (E_RNA)
where:
Base-Base interactions energy: -174.839
where: short stacking energy: -75.980
Base-Backbone interact. energy: -0.234
local terms energy: -95.761615
where:
bonds (distance) C4'-P energy: -18.223
bonds (distance) P-C4' energy: -20.207
flat angles C4'-P-C4' energy: -22.444
flat angles P-C4'-P energy: -12.387
tors. eta vs tors. theta energy: -22.501
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: 8
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -237.892810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.892810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.892810 (E_RNA)
where:
Base-Base interactions energy: -155.330
where: short stacking energy: -70.292
Base-Backbone interact. energy: -0.216
local terms energy: -82.346307
where:
bonds (distance) C4'-P energy: -16.744
bonds (distance) P-C4' energy: -20.127
flat angles C4'-P-C4' energy: -16.078
flat angles P-C4'-P energy: -14.344
tors. eta vs tors. theta energy: -15.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -242.874112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.874112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.874112 (E_RNA)
where:
Base-Base interactions energy: -151.268
where: short stacking energy: -67.253
Base-Backbone interact. energy: -0.689
local terms energy: -90.917575
where:
bonds (distance) C4'-P energy: -14.336
bonds (distance) P-C4' energy: -21.420
flat angles C4'-P-C4' energy: -22.183
flat angles P-C4'-P energy: -18.793
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: 9, replica: 10
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -177.288950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.288950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.288950 (E_RNA)
where:
Base-Base interactions energy: -104.012
where: short stacking energy: -45.960
Base-Backbone interact. energy: -0.225
local terms energy: -73.051830
where:
bonds (distance) C4'-P energy: -16.601
bonds (distance) P-C4' energy: -22.852
flat angles C4'-P-C4' energy: -15.730
flat angles P-C4'-P energy: -16.984
tors. eta vs tors. theta energy: -0.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -106.307575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.307575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.307575 (E_RNA)
where:
Base-Base interactions energy: -40.428
where: short stacking energy: -25.807
Base-Backbone interact. energy: -0.835
local terms energy: -65.044770
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -23.391
flat angles C4'-P-C4' energy: -18.117
flat angles P-C4'-P energy: -12.822
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: 1, replica: 5
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -368.469442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.469442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.469442 (E_RNA)
where:
Base-Base interactions energy: -246.171
where: short stacking energy: -102.165
Base-Backbone interact. energy: -0.112
local terms energy: -122.186984
where:
bonds (distance) C4'-P energy: -23.000
bonds (distance) P-C4' energy: -21.112
flat angles C4'-P-C4' energy: -26.482
flat angles P-C4'-P energy: -17.881
tors. eta vs tors. theta energy: -33.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -353.172841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.172841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.172841 (E_RNA)
where:
Base-Base interactions energy: -239.683
where: short stacking energy: -108.701
Base-Backbone interact. energy: -0.053
local terms energy: -113.437546
where:
bonds (distance) C4'-P energy: -25.471
bonds (distance) P-C4' energy: -21.456
flat angles C4'-P-C4' energy: -23.320
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -32.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -302.826139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.826139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.826139 (E_RNA)
where:
Base-Base interactions energy: -192.440
where: short stacking energy: -99.362
Base-Backbone interact. energy: -0.051
local terms energy: -110.335064
where:
bonds (distance) C4'-P energy: -23.051
bonds (distance) P-C4' energy: -20.735
flat angles C4'-P-C4' energy: -24.168
flat angles P-C4'-P energy: -16.283
tors. eta vs tors. theta energy: -26.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -292.651862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.651862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.651862 (E_RNA)
where:
Base-Base interactions energy: -188.101
where: short stacking energy: -95.751
Base-Backbone interact. energy: -0.516
local terms energy: -104.035168
where:
bonds (distance) C4'-P energy: -21.518
bonds (distance) P-C4' energy: -22.863
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -17.615
tors. eta vs tors. theta energy: -27.100
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: 3
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -280.571734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.571734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.571734 (E_RNA)
where:
Base-Base interactions energy: -182.715
where: short stacking energy: -76.348
Base-Backbone interact. energy: -0.204
local terms energy: -97.653237
where:
bonds (distance) C4'-P energy: -22.329
bonds (distance) P-C4' energy: -21.298
flat angles C4'-P-C4' energy: -16.933
flat angles P-C4'-P energy: -15.480
tors. eta vs tors. theta energy: -21.612
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: 6
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -258.072231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.072231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.072231 (E_RNA)
where:
Base-Base interactions energy: -170.085
where: short stacking energy: -70.865
Base-Backbone interact. energy: 0.688
local terms energy: -88.675419
where:
bonds (distance) C4'-P energy: -16.940
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -23.247
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -19.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -251.069725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.069725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.069725 (E_RNA)
where:
Base-Base interactions energy: -169.142
where: short stacking energy: -77.602
Base-Backbone interact. energy: -0.154
local terms energy: -81.773541
where:
bonds (distance) C4'-P energy: -16.664
bonds (distance) P-C4' energy: -22.406
flat angles C4'-P-C4' energy: -15.011
flat angles P-C4'-P energy: -14.164
tors. eta vs tors. theta energy: -13.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -244.210386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.210386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.210386 (E_RNA)
where:
Base-Base interactions energy: -161.431
where: short stacking energy: -71.844
Base-Backbone interact. energy: -0.832
local terms energy: -81.947404
where:
bonds (distance) C4'-P energy: -19.538
bonds (distance) P-C4' energy: -24.352
flat angles C4'-P-C4' energy: -12.971
flat angles P-C4'-P energy: -10.447
tors. eta vs tors. theta energy: -14.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -192.808300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.808300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.808300 (E_RNA)
where:
Base-Base interactions energy: -101.268
where: short stacking energy: -55.306
Base-Backbone interact. energy: -1.669
local terms energy: -89.870721
where:
bonds (distance) C4'-P energy: -22.639
bonds (distance) P-C4' energy: -23.536
flat angles C4'-P-C4' energy: -21.601
flat angles P-C4'-P energy: -9.571
tors. eta vs tors. theta energy: -12.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -117.764114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.764114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.764114 (E_RNA)
where:
Base-Base interactions energy: -61.038
where: short stacking energy: -42.705
Base-Backbone interact. energy: 0.719
local terms energy: -57.445032
where:
bonds (distance) C4'-P energy: -16.319
bonds (distance) P-C4' energy: -23.402
flat angles C4'-P-C4' energy: -11.086
flat angles P-C4'-P energy: -8.546
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: 1, replica: 4
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -351.815895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.815895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.815895 (E_RNA)
where:
Base-Base interactions energy: -234.433
where: short stacking energy: -98.523
Base-Backbone interact. energy: -0.385
local terms energy: -116.997837
where:
bonds (distance) C4'-P energy: -23.062
bonds (distance) P-C4' energy: -22.241
flat angles C4'-P-C4' energy: -20.897
flat angles P-C4'-P energy: -20.824
tors. eta vs tors. theta energy: -29.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -361.275695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.275695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.275695 (E_RNA)
where:
Base-Base interactions energy: -246.708
where: short stacking energy: -111.279
Base-Backbone interact. energy: -0.621
local terms energy: -113.947024
where:
bonds (distance) C4'-P energy: -21.672
bonds (distance) P-C4' energy: -19.487
flat angles C4'-P-C4' energy: -22.034
flat angles P-C4'-P energy: -19.093
tors. eta vs tors. theta energy: -31.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -297.098668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.098668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.098668 (E_RNA)
where:
Base-Base interactions energy: -188.268
where: short stacking energy: -89.727
Base-Backbone interact. energy: 0.862
local terms energy: -109.692539
where:
bonds (distance) C4'-P energy: -25.323
bonds (distance) P-C4' energy: -22.289
flat angles C4'-P-C4' energy: -20.217
flat angles P-C4'-P energy: -13.229
tors. eta vs tors. theta energy: -28.635
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: 7
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -286.622099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.622099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.622099 (E_RNA)
where:
Base-Base interactions energy: -179.824
where: short stacking energy: -86.131
Base-Backbone interact. energy: -0.097
local terms energy: -106.701247
where:
bonds (distance) C4'-P energy: -22.119
bonds (distance) P-C4' energy: -24.016
flat angles C4'-P-C4' energy: -22.521
flat angles P-C4'-P energy: -16.475
tors. eta vs tors. theta energy: -21.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -273.474273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.474273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.474273 (E_RNA)
where:
Base-Base interactions energy: -181.742
where: short stacking energy: -91.347
Base-Backbone interact. energy: -0.260
local terms energy: -91.472133
where:
bonds (distance) C4'-P energy: -17.764
bonds (distance) P-C4' energy: -17.843
flat angles C4'-P-C4' energy: -20.047
flat angles P-C4'-P energy: -12.451
tors. eta vs tors. theta energy: -23.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -252.549890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.549890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.549890 (E_RNA)
where:
Base-Base interactions energy: -177.115
where: short stacking energy: -71.871
Base-Backbone interact. energy: -0.684
local terms energy: -74.750065
where:
bonds (distance) C4'-P energy: -19.458
bonds (distance) P-C4' energy: -20.805
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -7.047
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: 7, replica: 9
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -247.058371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.058371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.058371 (E_RNA)
where:
Base-Base interactions energy: -167.564
where: short stacking energy: -72.267
Base-Backbone interact. energy: 2.967
local terms energy: -82.461186
where:
bonds (distance) C4'-P energy: -18.457
bonds (distance) P-C4' energy: -24.976
flat angles C4'-P-C4' energy: -21.287
flat angles P-C4'-P energy: -6.077
tors. eta vs tors. theta energy: -11.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -231.598062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.598062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.598062 (E_RNA)
where:
Base-Base interactions energy: -143.972
where: short stacking energy: -62.718
Base-Backbone interact. energy: -0.170
local terms energy: -87.456751
where:
bonds (distance) C4'-P energy: -19.043
bonds (distance) P-C4' energy: -19.189
flat angles C4'-P-C4' energy: -21.938
flat angles P-C4'-P energy: -16.815
tors. eta vs tors. theta energy: -10.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -189.982956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.982956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.982956 (E_RNA)
where:
Base-Base interactions energy: -104.381
where: short stacking energy: -56.426
Base-Backbone interact. energy: -0.419
local terms energy: -85.182636
where:
bonds (distance) C4'-P energy: -19.666
bonds (distance) P-C4' energy: -21.227
flat angles C4'-P-C4' energy: -20.540
flat angles P-C4'-P energy: -17.370
tors. eta vs tors. theta energy: -6.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -108.208828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.208828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.208828 (E_RNA)
where:
Base-Base interactions energy: -38.527
where: short stacking energy: -26.208
Base-Backbone interact. energy: 1.583
local terms energy: -71.264002
where:
bonds (distance) C4'-P energy: -20.285
bonds (distance) P-C4' energy: -19.036
flat angles C4'-P-C4' energy: -20.847
flat angles P-C4'-P energy: -14.320
tors. eta vs tors. theta energy: 3.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -363.333097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.333097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.333097 (E_RNA)
where:
Base-Base interactions energy: -241.157
where: short stacking energy: -114.471
Base-Backbone interact. energy: -0.312
local terms energy: -121.864492
where:
bonds (distance) C4'-P energy: -26.656
bonds (distance) P-C4' energy: -26.672
flat angles C4'-P-C4' energy: -23.154
flat angles P-C4'-P energy: -14.569
tors. eta vs tors. theta energy: -30.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -348.480578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.480578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.480578 (E_RNA)
where:
Base-Base interactions energy: -233.145
where: short stacking energy: -104.926
Base-Backbone interact. energy: -0.023
local terms energy: -115.313160
where:
bonds (distance) C4'-P energy: -22.218
bonds (distance) P-C4' energy: -25.044
flat angles C4'-P-C4' energy: -22.193
flat angles P-C4'-P energy: -13.185
tors. eta vs tors. theta energy: -32.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -296.778015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.778015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.778015 (E_RNA)
where:
Base-Base interactions energy: -196.988
where: short stacking energy: -81.970
Base-Backbone interact. energy: 0.010
local terms energy: -99.800520
where:
bonds (distance) C4'-P energy: -25.090
bonds (distance) P-C4' energy: -14.984
flat angles C4'-P-C4' energy: -21.999
flat angles P-C4'-P energy: -14.260
tors. eta vs tors. theta energy: -23.468
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: 4, replica: 7
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -288.253536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.253536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.253536 (E_RNA)
where:
Base-Base interactions energy: -182.903
where: short stacking energy: -97.090
Base-Backbone interact. energy: -0.234
local terms energy: -105.117275
where:
bonds (distance) C4'-P energy: -23.239
bonds (distance) P-C4' energy: -27.774
flat angles C4'-P-C4' energy: -23.386
flat angles P-C4'-P energy: -7.865
tors. eta vs tors. theta energy: -22.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -275.869343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.869343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.869343 (E_RNA)
where:
Base-Base interactions energy: -179.370
where: short stacking energy: -84.920
Base-Backbone interact. energy: -0.016
local terms energy: -96.483436
where:
bonds (distance) C4'-P energy: -18.835
bonds (distance) P-C4' energy: -16.426
flat angles C4'-P-C4' energy: -18.808
flat angles P-C4'-P energy: -17.183
tors. eta vs tors. theta energy: -25.231
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: 9
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -255.279545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.279545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.279545 (E_RNA)
where:
Base-Base interactions energy: -153.588
where: short stacking energy: -72.809
Base-Backbone interact. energy: -0.196
local terms energy: -101.495731
where:
bonds (distance) C4'-P energy: -22.704
bonds (distance) P-C4' energy: -23.440
flat angles C4'-P-C4' energy: -19.244
flat angles P-C4'-P energy: -16.228
tors. eta vs tors. theta energy: -19.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -238.575797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.575797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.575797 (E_RNA)
where:
Base-Base interactions energy: -167.889
where: short stacking energy: -75.543
Base-Backbone interact. energy: 0.155
local terms energy: -70.841452
where:
bonds (distance) C4'-P energy: -11.678
bonds (distance) P-C4' energy: -16.176
flat angles C4'-P-C4' energy: -18.952
flat angles P-C4'-P energy: -17.035
tors. eta vs tors. theta energy: -7.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -195.253828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.253828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.253828 (E_RNA)
where:
Base-Base interactions energy: -108.463
where: short stacking energy: -56.052
Base-Backbone interact. energy: -0.751
local terms energy: -86.039695
where:
bonds (distance) C4'-P energy: -19.871
bonds (distance) P-C4' energy: -23.135
flat angles C4'-P-C4' energy: -17.419
flat angles P-C4'-P energy: -12.490
tors. eta vs tors. theta energy: -13.125
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: 8
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -210.225053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.225053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.225053 (E_RNA)
where:
Base-Base interactions energy: -122.106
where: short stacking energy: -54.599
Base-Backbone interact. energy: 2.293
local terms energy: -90.411840
where:
bonds (distance) C4'-P energy: -22.821
bonds (distance) P-C4' energy: -21.954
flat angles C4'-P-C4' energy: -21.301
flat angles P-C4'-P energy: -12.319
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: 10, replica: 2
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -104.121450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.121450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.121450 (E_RNA)
where:
Base-Base interactions energy: -35.100
where: short stacking energy: -31.632
Base-Backbone interact. energy: -0.512
local terms energy: -68.509594
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -23.892
flat angles C4'-P-C4' energy: -21.219
flat angles P-C4'-P energy: -11.726
tors. eta vs tors. theta energy: 2.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -354.778091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.778091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.778091 (E_RNA)
where:
Base-Base interactions energy: -231.608
where: short stacking energy: -106.565
Base-Backbone interact. energy: -0.498
local terms energy: -122.671783
where:
bonds (distance) C4'-P energy: -26.035
bonds (distance) P-C4' energy: -26.258
flat angles C4'-P-C4' energy: -21.669
flat angles P-C4'-P energy: -16.092
tors. eta vs tors. theta energy: -32.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -353.464022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.464022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.464022 (E_RNA)
where:
Base-Base interactions energy: -245.239
where: short stacking energy: -107.468
Base-Backbone interact. energy: -0.092
local terms energy: -108.132688
where:
bonds (distance) C4'-P energy: -21.573
bonds (distance) P-C4' energy: -21.146
flat angles C4'-P-C4' energy: -24.154
flat angles P-C4'-P energy: -6.847
tors. eta vs tors. theta energy: -34.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -303.271607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.271607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.271607 (E_RNA)
where:
Base-Base interactions energy: -197.304
where: short stacking energy: -86.283
Base-Backbone interact. energy: -0.117
local terms energy: -105.850949
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -25.142
flat angles C4'-P-C4' energy: -19.332
flat angles P-C4'-P energy: -20.283
tors. eta vs tors. theta energy: -27.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -285.098115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.098115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.098115 (E_RNA)
where:
Base-Base interactions energy: -182.302
where: short stacking energy: -88.506
Base-Backbone interact. energy: -0.250
local terms energy: -102.546252
where:
bonds (distance) C4'-P energy: -19.273
bonds (distance) P-C4' energy: -19.803
flat angles C4'-P-C4' energy: -21.464
flat angles P-C4'-P energy: -19.745
tors. eta vs tors. theta energy: -22.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -263.590980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.590980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.590980 (E_RNA)
where:
Base-Base interactions energy: -171.245
where: short stacking energy: -82.081
Base-Backbone interact. energy: -0.008
local terms energy: -92.338058
where:
bonds (distance) C4'-P energy: -19.218
bonds (distance) P-C4' energy: -24.382
flat angles C4'-P-C4' energy: -17.921
flat angles P-C4'-P energy: -6.660
tors. eta vs tors. theta energy: -24.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -266.138101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.138101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.138101 (E_RNA)
where:
Base-Base interactions energy: -164.817
where: short stacking energy: -86.086
Base-Backbone interact. energy: -0.710
local terms energy: -100.611810
where:
bonds (distance) C4'-P energy: -27.045
bonds (distance) P-C4' energy: -22.493
flat angles C4'-P-C4' energy: -14.635
flat angles P-C4'-P energy: -14.963
tors. eta vs tors. theta energy: -21.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -250.981928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.981928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.981928 (E_RNA)
where:
Base-Base interactions energy: -152.149
where: short stacking energy: -75.515
Base-Backbone interact. energy: -1.001
local terms energy: -97.831936
where:
bonds (distance) C4'-P energy: -23.348
bonds (distance) P-C4' energy: -17.304
flat angles C4'-P-C4' energy: -24.896
flat angles P-C4'-P energy: -14.337
tors. eta vs tors. theta energy: -17.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -194.127412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.127412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.127412 (E_RNA)
where:
Base-Base interactions energy: -118.209
where: short stacking energy: -63.315
Base-Backbone interact. energy: -0.097
local terms energy: -75.821570
where:
bonds (distance) C4'-P energy: -17.772
bonds (distance) P-C4' energy: -14.549
flat angles C4'-P-C4' energy: -21.581
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -12.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -124.780361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.780361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.780361 (E_RNA)
where:
Base-Base interactions energy: -64.909
where: short stacking energy: -43.579
Base-Backbone interact. energy: -0.171
local terms energy: -59.699720
where:
bonds (distance) C4'-P energy: -12.863
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -11.678
tors. eta vs tors. theta energy: -5.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -210.385833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.385833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.385833 (E_RNA)
where:
Base-Base interactions energy: -140.109
where: short stacking energy: -49.180
Base-Backbone interact. energy: -0.296
local terms energy: -69.980903
where:
bonds (distance) C4'-P energy: -19.112
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -9.866
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: 1, replica: 4
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -356.011930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.011930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.011930 (E_RNA)
where:
Base-Base interactions energy: -244.354
where: short stacking energy: -95.896
Base-Backbone interact. energy: -0.649
local terms energy: -111.008905
where:
bonds (distance) C4'-P energy: -18.997
bonds (distance) P-C4' energy: -24.493
flat angles C4'-P-C4' energy: -24.290
flat angles P-C4'-P energy: -16.590
tors. eta vs tors. theta energy: -26.639
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: 369
Temperature: 0.950000
Total energy: -360.110296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.110296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.110296 (E_RNA)
where:
Base-Base interactions energy: -243.010
where: short stacking energy: -97.911
Base-Backbone interact. energy: -0.165
local terms energy: -116.935027
where:
bonds (distance) C4'-P energy: -21.850
bonds (distance) P-C4' energy: -24.139
flat angles C4'-P-C4' energy: -22.623
flat angles P-C4'-P energy: -17.591
tors. eta vs tors. theta energy: -30.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -308.144307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.144307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.144307 (E_RNA)
where:
Base-Base interactions energy: -198.933
where: short stacking energy: -83.665
Base-Backbone interact. energy: -1.595
local terms energy: -107.616826
where:
bonds (distance) C4'-P energy: -24.324
bonds (distance) P-C4' energy: -21.851
flat angles C4'-P-C4' energy: -18.411
flat angles P-C4'-P energy: -18.943
tors. eta vs tors. theta energy: -24.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -279.793485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.793485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.793485 (E_RNA)
where:
Base-Base interactions energy: -171.611
where: short stacking energy: -85.883
Base-Backbone interact. energy: -0.108
local terms energy: -108.074471
where:
bonds (distance) C4'-P energy: -25.608
bonds (distance) P-C4' energy: -25.219
flat angles C4'-P-C4' energy: -21.299
flat angles P-C4'-P energy: -12.932
tors. eta vs tors. theta energy: -23.017
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: 5, replica: 9
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -256.514335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.514335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.514335 (E_RNA)
where:
Base-Base interactions energy: -164.281
where: short stacking energy: -86.284
Base-Backbone interact. energy: -0.067
local terms energy: -92.165930
where:
bonds (distance) C4'-P energy: -19.971
bonds (distance) P-C4' energy: -23.160
flat angles C4'-P-C4' energy: -21.395
flat angles P-C4'-P energy: -14.138
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: 3
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -264.581256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.581256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.581256 (E_RNA)
where:
Base-Base interactions energy: -183.152
where: short stacking energy: -83.748
Base-Backbone interact. energy: 0.510
local terms energy: -81.939117
where:
bonds (distance) C4'-P energy: -18.216
bonds (distance) P-C4' energy: -13.413
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -17.312
tors. eta vs tors. theta energy: -17.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -261.142286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.142286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.142286 (E_RNA)
where:
Base-Base interactions energy: -168.931
where: short stacking energy: -77.363
Base-Backbone interact. energy: -1.043
local terms energy: -91.168920
where:
bonds (distance) C4'-P energy: -19.104
bonds (distance) P-C4' energy: -19.686
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -11.133
tors. eta vs tors. theta energy: -26.127
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: 2
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -136.052255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.052255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.052255 (E_RNA)
where:
Base-Base interactions energy: -67.724
where: short stacking energy: -47.294
Base-Backbone interact. energy: 1.073
local terms energy: -69.401507
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -13.046
flat angles C4'-P-C4' energy: -20.995
flat angles P-C4'-P energy: -12.414
tors. eta vs tors. theta energy: -7.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -206.335554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.335554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.335554 (E_RNA)
where:
Base-Base interactions energy: -125.353
where: short stacking energy: -63.438
Base-Backbone interact. energy: -0.195
local terms energy: -80.787211
where:
bonds (distance) C4'-P energy: -16.720
bonds (distance) P-C4' energy: -22.251
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -11.931
tors. eta vs tors. theta energy: -14.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -190.106645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.106645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.106645 (E_RNA)
where:
Base-Base interactions energy: -107.437
where: short stacking energy: -39.195
Base-Backbone interact. energy: -0.276
local terms energy: -82.393473
where:
bonds (distance) C4'-P energy: -21.849
bonds (distance) P-C4' energy: -20.603
flat angles C4'-P-C4' energy: -19.533
flat angles P-C4'-P energy: -17.318
tors. eta vs tors. theta energy: -3.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -353.527292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.527292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.527292 (E_RNA)
where:
Base-Base interactions energy: -237.682
where: short stacking energy: -102.344
Base-Backbone interact. energy: -0.298
local terms energy: -115.546736
where:
bonds (distance) C4'-P energy: -22.942
bonds (distance) P-C4' energy: -26.483
flat angles C4'-P-C4' energy: -19.647
flat angles P-C4'-P energy: -18.212
tors. eta vs tors. theta energy: -28.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -368.396875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.396875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.396875 (E_RNA)
where:
Base-Base interactions energy: -257.005
where: short stacking energy: -106.828
Base-Backbone interact. energy: -0.046
local terms energy: -111.346601
where:
bonds (distance) C4'-P energy: -18.169
bonds (distance) P-C4' energy: -22.869
flat angles C4'-P-C4' energy: -21.665
flat angles P-C4'-P energy: -16.027
tors. eta vs tors. theta energy: -32.616
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: 3, replica: 7
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -307.055086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.055086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.055086 (E_RNA)
where:
Base-Base interactions energy: -200.946
where: short stacking energy: -96.250
Base-Backbone interact. energy: -0.230
local terms energy: -105.878968
where:
bonds (distance) C4'-P energy: -16.585
bonds (distance) P-C4' energy: -21.904
flat angles C4'-P-C4' energy: -22.649
flat angles P-C4'-P energy: -18.785
tors. eta vs tors. theta energy: -25.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -283.220804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.220804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.220804 (E_RNA)
where:
Base-Base interactions energy: -175.108
where: short stacking energy: -86.442
Base-Backbone interact. energy: -0.188
local terms energy: -107.924860
where:
bonds (distance) C4'-P energy: -24.190
bonds (distance) P-C4' energy: -18.726
flat angles C4'-P-C4' energy: -21.608
flat angles P-C4'-P energy: -17.570
tors. eta vs tors. theta energy: -25.830
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: 3
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -282.433738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.433738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.433738 (E_RNA)
where:
Base-Base interactions energy: -191.916
where: short stacking energy: -85.678
Base-Backbone interact. energy: 0.169
local terms energy: -90.686391
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -19.109
flat angles C4'-P-C4' energy: -19.248
flat angles P-C4'-P energy: -13.948
tors. eta vs tors. theta energy: -21.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -272.690577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.690577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.690577 (E_RNA)
where:
Base-Base interactions energy: -180.081
where: short stacking energy: -89.532
Base-Backbone interact. energy: -0.330
local terms energy: -92.280435
where:
bonds (distance) C4'-P energy: -17.035
bonds (distance) P-C4' energy: -20.105
flat angles C4'-P-C4' energy: -21.723
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -22.905
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: 7, replica: 6
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -261.765651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.765651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.765651 (E_RNA)
where:
Base-Base interactions energy: -165.257
where: short stacking energy: -73.633
Base-Backbone interact. energy: -0.535
local terms energy: -95.974042
where:
bonds (distance) C4'-P energy: -19.120
bonds (distance) P-C4' energy: -23.554
flat angles C4'-P-C4' energy: -20.044
flat angles P-C4'-P energy: -14.097
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: 8, replica: 2
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -117.474885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.474885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.474885 (E_RNA)
where:
Base-Base interactions energy: -37.769
where: short stacking energy: -37.208
Base-Backbone interact. energy: -0.303
local terms energy: -79.402396
where:
bonds (distance) C4'-P energy: -19.101
bonds (distance) P-C4' energy: -22.158
flat angles C4'-P-C4' energy: -22.026
flat angles P-C4'-P energy: -12.188
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: 9, replica: 8
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -213.839646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.839646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.839646 (E_RNA)
where:
Base-Base interactions energy: -128.666
where: short stacking energy: -65.578
Base-Backbone interact. energy: -0.133
local terms energy: -85.040969
where:
bonds (distance) C4'-P energy: -19.266
bonds (distance) P-C4' energy: -21.563
flat angles C4'-P-C4' energy: -17.662
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -14.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -185.364020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.364020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.364020 (E_RNA)
where:
Base-Base interactions energy: -109.534
where: short stacking energy: -44.932
Base-Backbone interact. energy: 3.743
local terms energy: -79.572729
where:
bonds (distance) C4'-P energy: -23.216
bonds (distance) P-C4' energy: -22.707
flat angles C4'-P-C4' energy: -15.618
flat angles P-C4'-P energy: -9.178
tors. eta vs tors. theta energy: -8.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -363.173461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.173461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.173461 (E_RNA)
where:
Base-Base interactions energy: -245.281
where: short stacking energy: -98.409
Base-Backbone interact. energy: -0.218
local terms energy: -117.674517
where:
bonds (distance) C4'-P energy: -22.458
bonds (distance) P-C4' energy: -25.902
flat angles C4'-P-C4' energy: -26.279
flat angles P-C4'-P energy: -15.779
tors. eta vs tors. theta energy: -27.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -367.158472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.158472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.158472 (E_RNA)
where:
Base-Base interactions energy: -249.124
where: short stacking energy: -103.044
Base-Backbone interact. energy: -0.034
local terms energy: -118.000546
where:
bonds (distance) C4'-P energy: -15.885
bonds (distance) P-C4' energy: -25.459
flat angles C4'-P-C4' energy: -26.679
flat angles P-C4'-P energy: -15.505
tors. eta vs tors. theta energy: -34.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -321.977281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.977281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.977281 (E_RNA)
where:
Base-Base interactions energy: -211.997
where: short stacking energy: -105.114
Base-Backbone interact. energy: -0.599
local terms energy: -109.381508
where:
bonds (distance) C4'-P energy: -19.585
bonds (distance) P-C4' energy: -22.169
flat angles C4'-P-C4' energy: -22.251
flat angles P-C4'-P energy: -18.985
tors. eta vs tors. theta energy: -26.392
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: 3
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -293.160861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.160861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.160861 (E_RNA)
where:
Base-Base interactions energy: -187.352
where: short stacking energy: -80.856
Base-Backbone interact. energy: -0.211
local terms energy: -105.597634
where:
bonds (distance) C4'-P energy: -23.456
bonds (distance) P-C4' energy: -23.007
flat angles C4'-P-C4' energy: -20.557
flat angles P-C4'-P energy: -14.309
tors. eta vs tors. theta energy: -24.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -282.719596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.719596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.719596 (E_RNA)
where:
Base-Base interactions energy: -186.462
where: short stacking energy: -93.641
Base-Backbone interact. energy: -0.146
local terms energy: -96.111804
where:
bonds (distance) C4'-P energy: -20.592
bonds (distance) P-C4' energy: -18.682
flat angles C4'-P-C4' energy: -20.873
flat angles P-C4'-P energy: -15.497
tors. eta vs tors. theta energy: -20.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -257.800749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.800749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.800749 (E_RNA)
where:
Base-Base interactions energy: -164.801
where: short stacking energy: -74.621
Base-Backbone interact. energy: -0.241
local terms energy: -92.759404
where:
bonds (distance) C4'-P energy: -15.074
bonds (distance) P-C4' energy: -19.307
flat angles C4'-P-C4' energy: -21.057
flat angles P-C4'-P energy: -19.379
tors. eta vs tors. theta energy: -17.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -267.966512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.966512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.966512 (E_RNA)
where:
Base-Base interactions energy: -182.825
where: short stacking energy: -75.553
Base-Backbone interact. energy: -0.134
local terms energy: -85.006700
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -23.923
flat angles C4'-P-C4' energy: -20.334
flat angles P-C4'-P energy: -9.210
tors. eta vs tors. theta energy: -15.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -220.911775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.911775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.911775 (E_RNA)
where:
Base-Base interactions energy: -135.312
where: short stacking energy: -49.173
Base-Backbone interact. energy: -1.064
local terms energy: -84.535848
where:
bonds (distance) C4'-P energy: -14.365
bonds (distance) P-C4' energy: -25.008
flat angles C4'-P-C4' energy: -21.856
flat angles P-C4'-P energy: -10.322
tors. eta vs tors. theta energy: -12.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -120.169338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.169338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.169338 (E_RNA)
where:
Base-Base interactions energy: -51.754
where: short stacking energy: -41.010
Base-Backbone interact. energy: -0.303
local terms energy: -68.111696
where:
bonds (distance) C4'-P energy: -14.934
bonds (distance) P-C4' energy: -11.387
flat angles C4'-P-C4' energy: -19.938
flat angles P-C4'-P energy: -13.605
tors. eta vs tors. theta energy: -8.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -192.135612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.135612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.135612 (E_RNA)
where:
Base-Base interactions energy: -113.923
where: short stacking energy: -43.627
Base-Backbone interact. energy: -0.276
local terms energy: -77.936515
where:
bonds (distance) C4'-P energy: -19.472
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -16.519
flat angles P-C4'-P energy: -15.184
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: 5
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -369.180004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.180004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.180004 (E_RNA)
where:
Base-Base interactions energy: -241.435
where: short stacking energy: -106.635
Base-Backbone interact. energy: -0.022
local terms energy: -127.723336
where:
bonds (distance) C4'-P energy: -25.293
bonds (distance) P-C4' energy: -25.934
flat angles C4'-P-C4' energy: -24.625
flat angles P-C4'-P energy: -20.737
tors. eta vs tors. theta energy: -31.135
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: 4
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -364.821553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.821553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.821553 (E_RNA)
where:
Base-Base interactions energy: -259.270
where: short stacking energy: -102.299
Base-Backbone interact. energy: -0.326
local terms energy: -105.225076
where:
bonds (distance) C4'-P energy: -22.922
bonds (distance) P-C4' energy: -25.339
flat angles C4'-P-C4' energy: -20.763
flat angles P-C4'-P energy: -12.210
tors. eta vs tors. theta energy: -23.991
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: 372
Temperature: 1.000000
Total energy: -303.392288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.392288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.392288 (E_RNA)
where:
Base-Base interactions energy: -195.279
where: short stacking energy: -94.176
Base-Backbone interact. energy: -0.115
local terms energy: -107.998027
where:
bonds (distance) C4'-P energy: -19.480
bonds (distance) P-C4' energy: -21.171
flat angles C4'-P-C4' energy: -22.473
flat angles P-C4'-P energy: -16.957
tors. eta vs tors. theta energy: -27.916
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: 3
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -268.895093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.895093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.895093 (E_RNA)
where:
Base-Base interactions energy: -191.613
where: short stacking energy: -98.328
Base-Backbone interact. energy: -0.183
local terms energy: -77.098760
where:
bonds (distance) C4'-P energy: -13.997
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -14.817
flat angles P-C4'-P energy: -12.654
tors. eta vs tors. theta energy: -21.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -254.562359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.562359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.562359 (E_RNA)
where:
Base-Base interactions energy: -169.815
where: short stacking energy: -72.075
Base-Backbone interact. energy: -0.519
local terms energy: -84.228534
where:
bonds (distance) C4'-P energy: -17.642
bonds (distance) P-C4' energy: -21.384
flat angles C4'-P-C4' energy: -19.214
flat angles P-C4'-P energy: -13.001
tors. eta vs tors. theta energy: -12.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -268.181553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.181553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.181553 (E_RNA)
where:
Base-Base interactions energy: -165.388
where: short stacking energy: -81.576
Base-Backbone interact. energy: -0.425
local terms energy: -102.369155
where:
bonds (distance) C4'-P energy: -22.535
bonds (distance) P-C4' energy: -23.024
flat angles C4'-P-C4' energy: -22.037
flat angles P-C4'-P energy: -15.848
tors. eta vs tors. theta energy: -18.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -231.135020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.135020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.135020 (E_RNA)
where:
Base-Base interactions energy: -139.546
where: short stacking energy: -63.990
Base-Backbone interact. energy: -0.503
local terms energy: -91.085948
where:
bonds (distance) C4'-P energy: -23.691
bonds (distance) P-C4' energy: -18.864
flat angles C4'-P-C4' energy: -20.500
flat angles P-C4'-P energy: -15.900
tors. eta vs tors. theta energy: -12.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -242.166650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.166650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.166650 (E_RNA)
where:
Base-Base interactions energy: -159.504
where: short stacking energy: -68.069
Base-Backbone interact. energy: -0.013
local terms energy: -82.649595
where:
bonds (distance) C4'-P energy: -19.845
bonds (distance) P-C4' energy: -18.784
flat angles C4'-P-C4' energy: -20.107
flat angles P-C4'-P energy: -8.444
tors. eta vs tors. theta energy: -15.470
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: 9, replica: 10
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -227.084744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.084744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.084744 (E_RNA)
where:
Base-Base interactions energy: -142.094
where: short stacking energy: -64.725
Base-Backbone interact. energy: 0.923
local terms energy: -85.913488
where:
bonds (distance) C4'-P energy: -13.557
bonds (distance) P-C4' energy: -21.229
flat angles C4'-P-C4' energy: -20.436
flat angles P-C4'-P energy: -13.667
tors. eta vs tors. theta energy: -17.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -114.036340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.036340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.036340 (E_RNA)
where:
Base-Base interactions energy: -46.586
where: short stacking energy: -25.460
Base-Backbone interact. energy: -0.046
local terms energy: -67.404840
where:
bonds (distance) C4'-P energy: -22.226
bonds (distance) P-C4' energy: -13.495
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -17.646
tors. eta vs tors. theta energy: 2.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -374.357202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.357202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.357202 (E_RNA)
where:
Base-Base interactions energy: -244.885
where: short stacking energy: -108.594
Base-Backbone interact. energy: -0.010
local terms energy: -129.461786
where:
bonds (distance) C4'-P energy: -26.689
bonds (distance) P-C4' energy: -22.226
flat angles C4'-P-C4' energy: -27.985
flat angles P-C4'-P energy: -19.540
tors. eta vs tors. theta energy: -33.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -355.818815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.818815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.818815 (E_RNA)
where:
Base-Base interactions energy: -252.659
where: short stacking energy: -98.176
Base-Backbone interact. energy: -0.340
local terms energy: -102.820572
where:
bonds (distance) C4'-P energy: -16.448
bonds (distance) P-C4' energy: -23.983
flat angles C4'-P-C4' energy: -23.927
flat angles P-C4'-P energy: -12.624
tors. eta vs tors. theta energy: -25.839
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: 7
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -297.299518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.299518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.299518 (E_RNA)
where:
Base-Base interactions energy: -191.327
where: short stacking energy: -85.110
Base-Backbone interact. energy: 1.636
local terms energy: -107.607854
where:
bonds (distance) C4'-P energy: -20.818
bonds (distance) P-C4' energy: -26.356
flat angles C4'-P-C4' energy: -27.003
flat angles P-C4'-P energy: -13.254
tors. eta vs tors. theta energy: -20.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -274.376521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.376521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.376521 (E_RNA)
where:
Base-Base interactions energy: -176.758
where: short stacking energy: -88.828
Base-Backbone interact. energy: -0.294
local terms energy: -97.325150
where:
bonds (distance) C4'-P energy: -17.497
bonds (distance) P-C4' energy: -22.823
flat angles C4'-P-C4' energy: -24.687
flat angles P-C4'-P energy: -12.445
tors. eta vs tors. theta energy: -19.874
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: 373
Temperature: 1.100000
Total energy: -272.669322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.669322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.669322 (E_RNA)
where:
Base-Base interactions energy: -179.926
where: short stacking energy: -85.043
Base-Backbone interact. energy: 0.511
local terms energy: -93.254749
where:
bonds (distance) C4'-P energy: -20.364
bonds (distance) P-C4' energy: -18.371
flat angles C4'-P-C4' energy: -20.049
flat angles P-C4'-P energy: -12.745
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: 6, replica: 1
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -254.873996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.873996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.873996 (E_RNA)
where:
Base-Base interactions energy: -160.247
where: short stacking energy: -77.876
Base-Backbone interact. energy: -1.457
local terms energy: -93.170376
where:
bonds (distance) C4'-P energy: -22.317
bonds (distance) P-C4' energy: -22.881
flat angles C4'-P-C4' energy: -16.867
flat angles P-C4'-P energy: -11.377
tors. eta vs tors. theta energy: -19.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -243.549981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.549981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.549981 (E_RNA)
where:
Base-Base interactions energy: -154.183
where: short stacking energy: -75.823
Base-Backbone interact. energy: 0.341
local terms energy: -89.707456
where:
bonds (distance) C4'-P energy: -20.793
bonds (distance) P-C4' energy: -22.751
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -14.378
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: 10
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -239.871717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.871717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.871717 (E_RNA)
where:
Base-Base interactions energy: -153.103
where: short stacking energy: -72.428
Base-Backbone interact. energy: -0.069
local terms energy: -86.699354
where:
bonds (distance) C4'-P energy: -21.317
bonds (distance) P-C4' energy: -23.020
flat angles C4'-P-C4' energy: -14.418
flat angles P-C4'-P energy: -10.490
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: 9, replica: 9
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -224.819348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.819348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.819348 (E_RNA)
where:
Base-Base interactions energy: -140.581
where: short stacking energy: -57.084
Base-Backbone interact. energy: 0.904
local terms energy: -85.142923
where:
bonds (distance) C4'-P energy: -24.958
bonds (distance) P-C4' energy: -20.271
flat angles C4'-P-C4' energy: -16.661
flat angles P-C4'-P energy: -11.306
tors. eta vs tors. theta energy: -11.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -102.212350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.212350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.212350 (E_RNA)
where:
Base-Base interactions energy: -26.373
where: short stacking energy: -25.482
Base-Backbone interact. energy: -0.358
local terms energy: -75.481183
where:
bonds (distance) C4'-P energy: -20.298
bonds (distance) P-C4' energy: -19.596
flat angles C4'-P-C4' energy: -18.820
flat angles P-C4'-P energy: -18.886
tors. eta vs tors. theta energy: 2.119
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: 5
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -366.355946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.355946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.355946 (E_RNA)
where:
Base-Base interactions energy: -247.443
where: short stacking energy: -106.755
Base-Backbone interact. energy: -0.758
local terms energy: -118.155102
where:
bonds (distance) C4'-P energy: -23.147
bonds (distance) P-C4' energy: -20.132
flat angles C4'-P-C4' energy: -22.281
flat angles P-C4'-P energy: -18.572
tors. eta vs tors. theta energy: -34.023
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: 2, replica: 4
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -335.525495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.525495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.525495 (E_RNA)
where:
Base-Base interactions energy: -230.286
where: short stacking energy: -93.804
Base-Backbone interact. energy: 2.476
local terms energy: -107.715185
where:
bonds (distance) C4'-P energy: -23.259
bonds (distance) P-C4' energy: -27.221
flat angles C4'-P-C4' energy: -22.853
flat angles P-C4'-P energy: -16.033
tors. eta vs tors. theta energy: -18.349
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: 7
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -325.382825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.382825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.382825 (E_RNA)
where:
Base-Base interactions energy: -216.877
where: short stacking energy: -99.156
Base-Backbone interact. energy: -0.369
local terms energy: -108.136310
where:
bonds (distance) C4'-P energy: -19.871
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -25.729
flat angles P-C4'-P energy: -15.356
tors. eta vs tors. theta energy: -30.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -279.948303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.948303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.948303 (E_RNA)
where:
Base-Base interactions energy: -177.242
where: short stacking energy: -88.724
Base-Backbone interact. energy: -0.095
local terms energy: -102.611802
where:
bonds (distance) C4'-P energy: -16.762
bonds (distance) P-C4' energy: -24.201
flat angles C4'-P-C4' energy: -24.181
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: -26.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -271.493905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.493905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.493905 (E_RNA)
where:
Base-Base interactions energy: -167.069
where: short stacking energy: -77.152
Base-Backbone interact. energy: 0.563
local terms energy: -104.988143
where:
bonds (distance) C4'-P energy: -21.774
bonds (distance) P-C4' energy: -25.977
flat angles C4'-P-C4' energy: -22.566
flat angles P-C4'-P energy: -14.492
tors. eta vs tors. theta energy: -20.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -264.076830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.076830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.076830 (E_RNA)
where:
Base-Base interactions energy: -166.211
where: short stacking energy: -68.654
Base-Backbone interact. energy: -0.461
local terms energy: -97.404888
where:
bonds (distance) C4'-P energy: -17.838
bonds (distance) P-C4' energy: -25.072
flat angles C4'-P-C4' energy: -25.689
flat angles P-C4'-P energy: -13.976
tors. eta vs tors. theta energy: -14.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -246.288702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.288702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.288702 (E_RNA)
where:
Base-Base interactions energy: -143.407
where: short stacking energy: -74.732
Base-Backbone interact. energy: -0.216
local terms energy: -102.665870
where:
bonds (distance) C4'-P energy: -23.002
bonds (distance) P-C4' energy: -19.460
flat angles C4'-P-C4' energy: -21.085
flat angles P-C4'-P energy: -18.192
tors. eta vs tors. theta energy: -20.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -247.182041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.182041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.182041 (E_RNA)
where:
Base-Base interactions energy: -163.841
where: short stacking energy: -72.901
Base-Backbone interact. energy: 0.331
local terms energy: -83.672438
where:
bonds (distance) C4'-P energy: -21.316
bonds (distance) P-C4' energy: -18.833
flat angles C4'-P-C4' energy: -21.818
flat angles P-C4'-P energy: -9.976
tors. eta vs tors. theta energy: -11.729
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: 2
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -106.185721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.185721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.185721 (E_RNA)
where:
Base-Base interactions energy: -35.086
where: short stacking energy: -31.635
Base-Backbone interact. energy: 0.394
local terms energy: -71.492915
where:
bonds (distance) C4'-P energy: -23.177
bonds (distance) P-C4' energy: -24.268
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -7.980
tors. eta vs tors. theta energy: 0.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -222.274046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.274046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.274046 (E_RNA)
where:
Base-Base interactions energy: -137.219
where: short stacking energy: -55.399
Base-Backbone interact. energy: -0.152
local terms energy: -84.903090
where:
bonds (distance) C4'-P energy: -18.867
bonds (distance) P-C4' energy: -19.211
flat angles C4'-P-C4' energy: -18.687
flat angles P-C4'-P energy: -17.201
tors. eta vs tors. theta energy: -10.937
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: 1, replica: 5
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -375.905386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.905386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.905386 (E_RNA)
where:
Base-Base interactions energy: -260.085
where: short stacking energy: -109.673
Base-Backbone interact. energy: -0.056
local terms energy: -115.763909
where:
bonds (distance) C4'-P energy: -16.691
bonds (distance) P-C4' energy: -26.846
flat angles C4'-P-C4' energy: -23.099
flat angles P-C4'-P energy: -17.146
tors. eta vs tors. theta energy: -31.981
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: 2, replica: 7
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -312.204077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.204077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.204077 (E_RNA)
where:
Base-Base interactions energy: -201.871
where: short stacking energy: -87.875
Base-Backbone interact. energy: -0.021
local terms energy: -110.312301
where:
bonds (distance) C4'-P energy: -24.058
bonds (distance) P-C4' energy: -25.453
flat angles C4'-P-C4' energy: -17.909
flat angles P-C4'-P energy: -15.979
tors. eta vs tors. theta energy: -26.914
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: 4
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -325.626222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.626222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.626222 (E_RNA)
where:
Base-Base interactions energy: -218.263
where: short stacking energy: -97.658
Base-Backbone interact. energy: -0.077
local terms energy: -107.286742
where:
bonds (distance) C4'-P energy: -17.635
bonds (distance) P-C4' energy: -24.462
flat angles C4'-P-C4' energy: -22.989
flat angles P-C4'-P energy: -10.176
tors. eta vs tors. theta energy: -32.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -294.396287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.396287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.396287 (E_RNA)
where:
Base-Base interactions energy: -182.774
where: short stacking energy: -89.849
Base-Backbone interact. energy: -0.173
local terms energy: -111.449073
where:
bonds (distance) C4'-P energy: -21.801
bonds (distance) P-C4' energy: -22.683
flat angles C4'-P-C4' energy: -24.585
flat angles P-C4'-P energy: -18.575
tors. eta vs tors. theta energy: -23.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -267.320098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.320098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.320098 (E_RNA)
where:
Base-Base interactions energy: -170.773
where: short stacking energy: -89.163
Base-Backbone interact. energy: -0.374
local terms energy: -96.172409
where:
bonds (distance) C4'-P energy: -21.398
bonds (distance) P-C4' energy: -19.013
flat angles C4'-P-C4' energy: -20.943
flat angles P-C4'-P energy: -12.000
tors. eta vs tors. theta energy: -22.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -263.209879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.209879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.209879 (E_RNA)
where:
Base-Base interactions energy: -170.881
where: short stacking energy: -77.487
Base-Backbone interact. energy: -0.108
local terms energy: -92.221514
where:
bonds (distance) C4'-P energy: -22.691
bonds (distance) P-C4' energy: -20.383
flat angles C4'-P-C4' energy: -21.098
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -18.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -247.421508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.421508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.421508 (E_RNA)
where:
Base-Base interactions energy: -160.920
where: short stacking energy: -69.536
Base-Backbone interact. energy: 0.768
local terms energy: -87.269486
where:
bonds (distance) C4'-P energy: -19.600
bonds (distance) P-C4' energy: -22.968
flat angles C4'-P-C4' energy: -19.635
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: -14.168
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: 8
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -211.866596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.866596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.866596 (E_RNA)
where:
Base-Base interactions energy: -132.305
where: short stacking energy: -60.295
Base-Backbone interact. energy: -0.031
local terms energy: -79.531060
where:
bonds (distance) C4'-P energy: -18.373
bonds (distance) P-C4' energy: -20.719
flat angles C4'-P-C4' energy: -21.368
flat angles P-C4'-P energy: -9.417
tors. eta vs tors. theta energy: -9.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -120.522236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.522236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.522236 (E_RNA)
where:
Base-Base interactions energy: -57.065
where: short stacking energy: -40.574
Base-Backbone interact. energy: -0.799
local terms energy: -62.658731
where:
bonds (distance) C4'-P energy: -21.893
bonds (distance) P-C4' energy: -15.757
flat angles C4'-P-C4' energy: -21.378
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: 5.466
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: 9
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -222.066748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.066748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.066748 (E_RNA)
where:
Base-Base interactions energy: -136.166
where: short stacking energy: -66.788
Base-Backbone interact. energy: -0.286
local terms energy: -85.614364
where:
bonds (distance) C4'-P energy: -16.896
bonds (distance) P-C4' energy: -19.946
flat angles C4'-P-C4' energy: -19.520
flat angles P-C4'-P energy: -16.891
tors. eta vs tors. theta energy: -12.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -366.146656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.146656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.146656 (E_RNA)
where:
Base-Base interactions energy: -251.757
where: short stacking energy: -103.832
Base-Backbone interact. energy: -0.055
local terms energy: -114.334499
where:
bonds (distance) C4'-P energy: -21.005
bonds (distance) P-C4' energy: -23.643
flat angles C4'-P-C4' energy: -20.842
flat angles P-C4'-P energy: -15.407
tors. eta vs tors. theta energy: -33.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -311.843465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.843465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.843465 (E_RNA)
where:
Base-Base interactions energy: -200.304
where: short stacking energy: -93.457
Base-Backbone interact. energy: -0.192
local terms energy: -111.346823
where:
bonds (distance) C4'-P energy: -22.420
bonds (distance) P-C4' energy: -25.845
flat angles C4'-P-C4' energy: -23.683
flat angles P-C4'-P energy: -14.112
tors. eta vs tors. theta energy: -25.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -324.767415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.767415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.767415 (E_RNA)
where:
Base-Base interactions energy: -212.470
where: short stacking energy: -98.722
Base-Backbone interact. energy: -1.071
local terms energy: -111.225980
where:
bonds (distance) C4'-P energy: -19.932
bonds (distance) P-C4' energy: -23.499
flat angles C4'-P-C4' energy: -22.464
flat angles P-C4'-P energy: -17.626
tors. eta vs tors. theta energy: -27.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -284.368388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.368388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.368388 (E_RNA)
where:
Base-Base interactions energy: -177.782
where: short stacking energy: -83.968
Base-Backbone interact. energy: -0.580
local terms energy: -106.006970
where:
bonds (distance) C4'-P energy: -24.086
bonds (distance) P-C4' energy: -20.296
flat angles C4'-P-C4' energy: -25.454
flat angles P-C4'-P energy: -16.056
tors. eta vs tors. theta energy: -20.114
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: 5, replica: 1
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -268.831259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.831259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.831259 (E_RNA)
where:
Base-Base interactions energy: -177.252
where: short stacking energy: -73.835
Base-Backbone interact. energy: -0.368
local terms energy: -91.211227
where:
bonds (distance) C4'-P energy: -21.881
bonds (distance) P-C4' energy: -21.262
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -16.652
tors. eta vs tors. theta energy: -15.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -262.585186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.585186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.585186 (E_RNA)
where:
Base-Base interactions energy: -171.475
where: short stacking energy: -77.247
Base-Backbone interact. energy: -0.116
local terms energy: -90.994245
where:
bonds (distance) C4'-P energy: -20.563
bonds (distance) P-C4' energy: -23.645
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -12.233
tors. eta vs tors. theta energy: -18.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -253.653650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.653650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.653650 (E_RNA)
where:
Base-Base interactions energy: -164.740
where: short stacking energy: -84.967
Base-Backbone interact. energy: 0.381
local terms energy: -89.294543
where:
bonds (distance) C4'-P energy: -19.268
bonds (distance) P-C4' energy: -14.308
flat angles C4'-P-C4' energy: -23.530
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -22.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -203.295933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.295933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.295933 (E_RNA)
where:
Base-Base interactions energy: -116.315
where: short stacking energy: -56.519
Base-Backbone interact. energy: -0.423
local terms energy: -86.558691
where:
bonds (distance) C4'-P energy: -25.191
bonds (distance) P-C4' energy: -22.076
flat angles C4'-P-C4' energy: -20.221
flat angles P-C4'-P energy: -12.903
tors. eta vs tors. theta energy: -6.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -225.600617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.600617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.600617 (E_RNA)
where:
Base-Base interactions energy: -139.042
where: short stacking energy: -73.548
Base-Backbone interact. energy: -0.083
local terms energy: -86.475710
where:
bonds (distance) C4'-P energy: -22.785
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -15.391
flat angles P-C4'-P energy: -16.343
tors. eta vs tors. theta energy: -18.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -116.752088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.752088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.752088 (E_RNA)
where:
Base-Base interactions energy: -41.993
where: short stacking energy: -28.505
Base-Backbone interact. energy: -0.388
local terms energy: -74.370433
where:
bonds (distance) C4'-P energy: -22.280
bonds (distance) P-C4' energy: -26.351
flat angles C4'-P-C4' energy: -11.145
flat angles P-C4'-P energy: -10.984
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: 1, replica: 5
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -375.407234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.407234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.407234 (E_RNA)
where:
Base-Base interactions energy: -261.449
where: short stacking energy: -115.600
Base-Backbone interact. energy: -0.036
local terms energy: -113.922491
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -22.908
flat angles C4'-P-C4' energy: -26.500
flat angles P-C4'-P energy: -15.532
tors. eta vs tors. theta energy: -34.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -343.877737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.877737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.877737 (E_RNA)
where:
Base-Base interactions energy: -223.856
where: short stacking energy: -101.737
Base-Backbone interact. energy: -0.184
local terms energy: -119.837497
where:
bonds (distance) C4'-P energy: -22.189
bonds (distance) P-C4' energy: -22.911
flat angles C4'-P-C4' energy: -27.741
flat angles P-C4'-P energy: -18.212
tors. eta vs tors. theta energy: -28.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -317.801145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.801145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.801145 (E_RNA)
where:
Base-Base interactions energy: -205.743
where: short stacking energy: -96.659
Base-Backbone interact. energy: -0.328
local terms energy: -111.729471
where:
bonds (distance) C4'-P energy: -22.442
bonds (distance) P-C4' energy: -24.222
flat angles C4'-P-C4' energy: -21.814
flat angles P-C4'-P energy: -20.115
tors. eta vs tors. theta energy: -23.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -275.025683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.025683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.025683 (E_RNA)
where:
Base-Base interactions energy: -183.109
where: short stacking energy: -76.492
Base-Backbone interact. energy: 0.248
local terms energy: -92.164644
where:
bonds (distance) C4'-P energy: -21.064
bonds (distance) P-C4' energy: -23.913
flat angles C4'-P-C4' energy: -20.785
flat angles P-C4'-P energy: -13.304
tors. eta vs tors. theta energy: -13.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -274.114366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.114366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.114366 (E_RNA)
where:
Base-Base interactions energy: -180.651
where: short stacking energy: -75.826
Base-Backbone interact. energy: -0.921
local terms energy: -92.541610
where:
bonds (distance) C4'-P energy: -23.253
bonds (distance) P-C4' energy: -22.308
flat angles C4'-P-C4' energy: -16.683
flat angles P-C4'-P energy: -9.834
tors. eta vs tors. theta energy: -20.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -266.032030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.032030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.032030 (E_RNA)
where:
Base-Base interactions energy: -164.186
where: short stacking energy: -64.905
Base-Backbone interact. energy: -0.598
local terms energy: -101.248848
where:
bonds (distance) C4'-P energy: -20.363
bonds (distance) P-C4' energy: -21.865
flat angles C4'-P-C4' energy: -24.170
flat angles P-C4'-P energy: -18.036
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: 7, replica: 10
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -253.389143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.389143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.389143 (E_RNA)
where:
Base-Base interactions energy: -154.388
where: short stacking energy: -75.760
Base-Backbone interact. energy: 0.379
local terms energy: -99.380261
where:
bonds (distance) C4'-P energy: -21.609
bonds (distance) P-C4' energy: -25.875
flat angles C4'-P-C4' energy: -17.097
flat angles P-C4'-P energy: -17.095
tors. eta vs tors. theta energy: -17.705
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: 8, replica: 9
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -244.403642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.403642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.403642 (E_RNA)
where:
Base-Base interactions energy: -149.845
where: short stacking energy: -69.695
Base-Backbone interact. energy: -0.169
local terms energy: -94.389127
where:
bonds (distance) C4'-P energy: -19.138
bonds (distance) P-C4' energy: -25.015
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -14.828
tors. eta vs tors. theta energy: -20.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -188.908228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.908228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.908228 (E_RNA)
where:
Base-Base interactions energy: -116.708
where: short stacking energy: -49.069
Base-Backbone interact. energy: -0.140
local terms energy: -72.060495
where:
bonds (distance) C4'-P energy: -23.865
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -2.938
tors. eta vs tors. theta energy: -13.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -108.776532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.776532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.776532 (E_RNA)
where:
Base-Base interactions energy: -24.082
where: short stacking energy: -23.058
Base-Backbone interact. energy: -0.258
local terms energy: -84.437268
where:
bonds (distance) C4'-P energy: -24.238
bonds (distance) P-C4' energy: -21.023
flat angles C4'-P-C4' energy: -22.535
flat angles P-C4'-P energy: -14.504
tors. eta vs tors. theta energy: -2.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -369.943251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.943251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.943251 (E_RNA)
where:
Base-Base interactions energy: -244.810
where: short stacking energy: -105.510
Base-Backbone interact. energy: -0.513
local terms energy: -124.620636
where:
bonds (distance) C4'-P energy: -22.190
bonds (distance) P-C4' energy: -24.439
flat angles C4'-P-C4' energy: -25.139
flat angles P-C4'-P energy: -18.778
tors. eta vs tors. theta energy: -34.075
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: 2, replica: 4
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -343.946029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.946029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.946029 (E_RNA)
where:
Base-Base interactions energy: -234.987
where: short stacking energy: -98.933
Base-Backbone interact. energy: 0.462
local terms energy: -109.421382
where:
bonds (distance) C4'-P energy: -23.072
bonds (distance) P-C4' energy: -21.701
flat angles C4'-P-C4' energy: -20.621
flat angles P-C4'-P energy: -14.103
tors. eta vs tors. theta energy: -29.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -292.544355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.544355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.544355 (E_RNA)
where:
Base-Base interactions energy: -187.420
where: short stacking energy: -83.835
Base-Backbone interact. energy: -0.442
local terms energy: -104.683112
where:
bonds (distance) C4'-P energy: -21.075
bonds (distance) P-C4' energy: -21.510
flat angles C4'-P-C4' energy: -21.776
flat angles P-C4'-P energy: -15.125
tors. eta vs tors. theta energy: -25.197
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: 7
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -294.288193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.288193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.288193 (E_RNA)
where:
Base-Base interactions energy: -185.302
where: short stacking energy: -82.503
Base-Backbone interact. energy: -1.653
local terms energy: -107.333010
where:
bonds (distance) C4'-P energy: -21.729
bonds (distance) P-C4' energy: -22.111
flat angles C4'-P-C4' energy: -24.708
flat angles P-C4'-P energy: -17.902
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: 3
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -283.445109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.445109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.445109 (E_RNA)
where:
Base-Base interactions energy: -176.947
where: short stacking energy: -92.551
Base-Backbone interact. energy: -0.060
local terms energy: -106.438278
where:
bonds (distance) C4'-P energy: -19.113
bonds (distance) P-C4' energy: -24.345
flat angles C4'-P-C4' energy: -18.288
flat angles P-C4'-P energy: -18.321
tors. eta vs tors. theta energy: -26.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -274.130740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.130740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.130740 (E_RNA)
where:
Base-Base interactions energy: -176.282
where: short stacking energy: -71.709
Base-Backbone interact. energy: -0.097
local terms energy: -97.751344
where:
bonds (distance) C4'-P energy: -19.738
bonds (distance) P-C4' energy: -18.614
flat angles C4'-P-C4' energy: -23.973
flat angles P-C4'-P energy: -15.846
tors. eta vs tors. theta energy: -19.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -257.590050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.590050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.590050 (E_RNA)
where:
Base-Base interactions energy: -170.987
where: short stacking energy: -73.680
Base-Backbone interact. energy: -0.269
local terms energy: -86.334277
where:
bonds (distance) C4'-P energy: -19.096
bonds (distance) P-C4' energy: -17.271
flat angles C4'-P-C4' energy: -18.893
flat angles P-C4'-P energy: -13.915
tors. eta vs tors. theta energy: -17.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -249.228140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.228140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.228140 (E_RNA)
where:
Base-Base interactions energy: -151.890
where: short stacking energy: -71.222
Base-Backbone interact. energy: -0.273
local terms energy: -97.065302
where:
bonds (distance) C4'-P energy: -19.756
bonds (distance) P-C4' energy: -23.694
flat angles C4'-P-C4' energy: -22.136
flat angles P-C4'-P energy: -17.101
tors. eta vs tors. theta energy: -14.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -198.625427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.625427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.625427 (E_RNA)
where:
Base-Base interactions energy: -115.371
where: short stacking energy: -60.042
Base-Backbone interact. energy: -0.295
local terms energy: -82.958504
where:
bonds (distance) C4'-P energy: -19.659
bonds (distance) P-C4' energy: -21.625
flat angles C4'-P-C4' energy: -18.537
flat angles P-C4'-P energy: -12.284
tors. eta vs tors. theta energy: -10.853
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: 2
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -118.558367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.558367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.558367 (E_RNA)
where:
Base-Base interactions energy: -50.364
where: short stacking energy: -35.812
Base-Backbone interact. energy: -0.234
local terms energy: -67.960693
where:
bonds (distance) C4'-P energy: -17.205
bonds (distance) P-C4' energy: -24.843
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -7.258
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: 5
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -380.966023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.966023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.966023 (E_RNA)
where:
Base-Base interactions energy: -255.448
where: short stacking energy: -117.944
Base-Backbone interact. energy: -0.032
local terms energy: -125.486190
where:
bonds (distance) C4'-P energy: -22.834
bonds (distance) P-C4' energy: -23.617
flat angles C4'-P-C4' energy: -28.382
flat angles P-C4'-P energy: -17.577
tors. eta vs tors. theta energy: -33.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -339.050185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.050185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.050185 (E_RNA)
where:
Base-Base interactions energy: -235.479
where: short stacking energy: -100.429
Base-Backbone interact. energy: -0.265
local terms energy: -103.306584
where:
bonds (distance) C4'-P energy: -20.883
bonds (distance) P-C4' energy: -19.669
flat angles C4'-P-C4' energy: -18.305
flat angles P-C4'-P energy: -15.500
tors. eta vs tors. theta energy: -28.949
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: 3, replica: 1
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -284.170448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.170448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.170448 (E_RNA)
where:
Base-Base interactions energy: -195.228
where: short stacking energy: -68.550
Base-Backbone interact. energy: -0.900
local terms energy: -88.042498
where:
bonds (distance) C4'-P energy: -21.469
bonds (distance) P-C4' energy: -18.207
flat angles C4'-P-C4' energy: -21.633
flat angles P-C4'-P energy: -12.908
tors. eta vs tors. theta energy: -13.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -292.950792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.950792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.950792 (E_RNA)
where:
Base-Base interactions energy: -193.624
where: short stacking energy: -86.480
Base-Backbone interact. energy: -0.675
local terms energy: -98.650937
where:
bonds (distance) C4'-P energy: -21.085
bonds (distance) P-C4' energy: -24.181
flat angles C4'-P-C4' energy: -25.351
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -17.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -274.750986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.750986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.750986 (E_RNA)
where:
Base-Base interactions energy: -185.155
where: short stacking energy: -82.895
Base-Backbone interact. energy: -0.292
local terms energy: -89.303945
where:
bonds (distance) C4'-P energy: -12.106
bonds (distance) P-C4' energy: -25.920
flat angles C4'-P-C4' energy: -23.826
flat angles P-C4'-P energy: -3.708
tors. eta vs tors. theta energy: -23.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -268.982282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.982282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.982282 (E_RNA)
where:
Base-Base interactions energy: -170.961
where: short stacking energy: -82.776
Base-Backbone interact. energy: -0.492
local terms energy: -97.529739
where:
bonds (distance) C4'-P energy: -20.895
bonds (distance) P-C4' energy: -18.636
flat angles C4'-P-C4' energy: -19.336
flat angles P-C4'-P energy: -12.962
tors. eta vs tors. theta energy: -25.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -258.208801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.208801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.208801 (E_RNA)
where:
Base-Base interactions energy: -170.651
where: short stacking energy: -81.593
Base-Backbone interact. energy: 0.051
local terms energy: -87.608772
where:
bonds (distance) C4'-P energy: -17.287
bonds (distance) P-C4' energy: -24.091
flat angles C4'-P-C4' energy: -22.055
flat angles P-C4'-P energy: -6.495
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: 8, replica: 8
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -206.398760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.398760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.398760 (E_RNA)
where:
Base-Base interactions energy: -128.010
where: short stacking energy: -64.994
Base-Backbone interact. energy: -0.698
local terms energy: -77.691502
where:
bonds (distance) C4'-P energy: -22.393
bonds (distance) P-C4' energy: -19.274
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -12.628
tors. eta vs tors. theta energy: -7.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -243.736823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.736823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.736823 (E_RNA)
where:
Base-Base interactions energy: -153.662
where: short stacking energy: -70.467
Base-Backbone interact. energy: -1.424
local terms energy: -88.650468
where:
bonds (distance) C4'-P energy: -17.573
bonds (distance) P-C4' energy: -19.810
flat angles C4'-P-C4' energy: -20.903
flat angles P-C4'-P energy: -14.993
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: 10, replica: 2
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -107.895589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.895589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.895589 (E_RNA)
where:
Base-Base interactions energy: -50.881
where: short stacking energy: -29.905
Base-Backbone interact. energy: 0.165
local terms energy: -57.178676
where:
bonds (distance) C4'-P energy: -23.233
bonds (distance) P-C4' energy: -12.872
flat angles C4'-P-C4' energy: -19.829
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: 7.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -369.926010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.926010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.926010 (E_RNA)
where:
Base-Base interactions energy: -253.973
where: short stacking energy: -111.618
Base-Backbone interact. energy: -0.370
local terms energy: -115.583926
where:
bonds (distance) C4'-P energy: -22.806
bonds (distance) P-C4' energy: -26.863
flat angles C4'-P-C4' energy: -21.192
flat angles P-C4'-P energy: -12.050
tors. eta vs tors. theta energy: -32.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -331.400155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.400155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.400155 (E_RNA)
where:
Base-Base interactions energy: -223.872
where: short stacking energy: -98.670
Base-Backbone interact. energy: -0.778
local terms energy: -106.750536
where:
bonds (distance) C4'-P energy: -23.195
bonds (distance) P-C4' energy: -22.751
flat angles C4'-P-C4' energy: -23.799
flat angles P-C4'-P energy: -15.131
tors. eta vs tors. theta energy: -21.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -331.824024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.824024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.824024 (E_RNA)
where:
Base-Base interactions energy: -225.057
where: short stacking energy: -105.595
Base-Backbone interact. energy: -0.494
local terms energy: -106.272613
where:
bonds (distance) C4'-P energy: -21.331
bonds (distance) P-C4' energy: -21.514
flat angles C4'-P-C4' energy: -20.746
flat angles P-C4'-P energy: -15.711
tors. eta vs tors. theta energy: -26.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -296.586274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.586274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.586274 (E_RNA)
where:
Base-Base interactions energy: -202.619
where: short stacking energy: -87.100
Base-Backbone interact. energy: -0.870
local terms energy: -93.097678
where:
bonds (distance) C4'-P energy: -22.948
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -19.337
flat angles P-C4'-P energy: -13.335
tors. eta vs tors. theta energy: -21.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -267.627711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.627711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.627711 (E_RNA)
where:
Base-Base interactions energy: -162.955
where: short stacking energy: -77.660
Base-Backbone interact. energy: -2.383
local terms energy: -102.290346
where:
bonds (distance) C4'-P energy: -20.459
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -23.722
flat angles P-C4'-P energy: -15.313
tors. eta vs tors. theta energy: -26.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -264.797305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.797305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.797305 (E_RNA)
where:
Base-Base interactions energy: -163.323
where: short stacking energy: -75.060
Base-Backbone interact. energy: -0.984
local terms energy: -100.489900
where:
bonds (distance) C4'-P energy: -20.696
bonds (distance) P-C4' energy: -24.275
flat angles C4'-P-C4' energy: -19.796
flat angles P-C4'-P energy: -12.629
tors. eta vs tors. theta energy: -23.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -250.188814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.188814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.188814 (E_RNA)
where:
Base-Base interactions energy: -165.839
where: short stacking energy: -63.100
Base-Backbone interact. energy: -0.565
local terms energy: -83.784723
where:
bonds (distance) C4'-P energy: -19.140
bonds (distance) P-C4' energy: -18.062
flat angles C4'-P-C4' energy: -19.634
flat angles P-C4'-P energy: -16.164
tors. eta vs tors. theta energy: -10.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -196.600928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.600928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.600928 (E_RNA)
where:
Base-Base interactions energy: -106.677
where: short stacking energy: -57.084
Base-Backbone interact. energy: -0.740
local terms energy: -89.184333
where:
bonds (distance) C4'-P energy: -19.047
bonds (distance) P-C4' energy: -27.961
flat angles C4'-P-C4' energy: -17.633
flat angles P-C4'-P energy: -11.775
tors. eta vs tors. theta energy: -12.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -248.119900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.119900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.119900 (E_RNA)
where:
Base-Base interactions energy: -163.360
where: short stacking energy: -86.244
Base-Backbone interact. energy: -0.223
local terms energy: -84.537023
where:
bonds (distance) C4'-P energy: -17.268
bonds (distance) P-C4' energy: -20.628
flat angles C4'-P-C4' energy: -22.307
flat angles P-C4'-P energy: -6.917
tors. eta vs tors. theta energy: -17.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -116.529092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.529092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.529092 (E_RNA)
where:
Base-Base interactions energy: -38.514
where: short stacking energy: -36.437
Base-Backbone interact. energy: -0.450
local terms energy: -77.565026
where:
bonds (distance) C4'-P energy: -23.431
bonds (distance) P-C4' energy: -23.905
flat angles C4'-P-C4' energy: -19.292
flat angles P-C4'-P energy: -7.314
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: 1, replica: 5
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -371.098138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.098138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.098138 (E_RNA)
where:
Base-Base interactions energy: -246.761
where: short stacking energy: -107.586
Base-Backbone interact. energy: -0.299
local terms energy: -124.038326
where:
bonds (distance) C4'-P energy: -22.637
bonds (distance) P-C4' energy: -24.181
flat angles C4'-P-C4' energy: -23.156
flat angles P-C4'-P energy: -20.984
tors. eta vs tors. theta energy: -33.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -354.809041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.809041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.809041 (E_RNA)
where:
Base-Base interactions energy: -236.856
where: short stacking energy: -103.844
Base-Backbone interact. energy: -0.785
local terms energy: -117.168602
where:
bonds (distance) C4'-P energy: -20.796
bonds (distance) P-C4' energy: -26.346
flat angles C4'-P-C4' energy: -23.148
flat angles P-C4'-P energy: -13.473
tors. eta vs tors. theta energy: -33.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -321.371379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.371379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.371379 (E_RNA)
where:
Base-Base interactions energy: -220.267
where: short stacking energy: -96.678
Base-Backbone interact. energy: -1.979
local terms energy: -99.124557
where:
bonds (distance) C4'-P energy: -17.971
bonds (distance) P-C4' energy: -20.730
flat angles C4'-P-C4' energy: -24.112
flat angles P-C4'-P energy: -12.292
tors. eta vs tors. theta energy: -24.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -276.188940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.188940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.188940 (E_RNA)
where:
Base-Base interactions energy: -174.434
where: short stacking energy: -91.819
Base-Backbone interact. energy: -0.112
local terms energy: -101.642724
where:
bonds (distance) C4'-P energy: -21.230
bonds (distance) P-C4' energy: -21.689
flat angles C4'-P-C4' energy: -19.824
flat angles P-C4'-P energy: -14.703
tors. eta vs tors. theta energy: -24.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -271.866215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.866215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.866215 (E_RNA)
where:
Base-Base interactions energy: -175.008
where: short stacking energy: -85.812
Base-Backbone interact. energy: -0.106
local terms energy: -96.752837
where:
bonds (distance) C4'-P energy: -13.384
bonds (distance) P-C4' energy: -20.681
flat angles C4'-P-C4' energy: -25.063
flat angles P-C4'-P energy: -16.989
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: 6, replica: 6
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -263.725573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.725573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.725573 (E_RNA)
where:
Base-Base interactions energy: -169.905
where: short stacking energy: -78.328
Base-Backbone interact. energy: -0.139
local terms energy: -93.682299
where:
bonds (distance) C4'-P energy: -20.809
bonds (distance) P-C4' energy: -23.366
flat angles C4'-P-C4' energy: -18.073
flat angles P-C4'-P energy: -15.801
tors. eta vs tors. theta energy: -15.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -254.092580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.092580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.092580 (E_RNA)
where:
Base-Base interactions energy: -163.389
where: short stacking energy: -81.728
Base-Backbone interact. energy: 0.299
local terms energy: -91.002668
where:
bonds (distance) C4'-P energy: -22.782
bonds (distance) P-C4' energy: -12.322
flat angles C4'-P-C4' energy: -23.389
flat angles P-C4'-P energy: -13.068
tors. eta vs tors. theta energy: -19.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -241.037841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.037841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.037841 (E_RNA)
where:
Base-Base interactions energy: -152.193
where: short stacking energy: -60.108
Base-Backbone interact. energy: -0.384
local terms energy: -88.461403
where:
bonds (distance) C4'-P energy: -18.071
bonds (distance) P-C4' energy: -20.151
flat angles C4'-P-C4' energy: -23.526
flat angles P-C4'-P energy: -15.853
tors. eta vs tors. theta energy: -10.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -214.623409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.623409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.623409 (E_RNA)
where:
Base-Base interactions energy: -138.860
where: short stacking energy: -72.442
Base-Backbone interact. energy: -0.380
local terms energy: -75.382594
where:
bonds (distance) C4'-P energy: -17.098
bonds (distance) P-C4' energy: -8.007
flat angles C4'-P-C4' energy: -22.508
flat angles P-C4'-P energy: -19.416
tors. eta vs tors. theta energy: -8.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -103.502423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.502423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.502423 (E_RNA)
where:
Base-Base interactions energy: -41.350
where: short stacking energy: -29.750
Base-Backbone interact. energy: 0.167
local terms energy: -62.319394
where:
bonds (distance) C4'-P energy: -14.638
bonds (distance) P-C4' energy: -17.279
flat angles C4'-P-C4' energy: -17.383
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -3.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -357.744367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.744367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.744367 (E_RNA)
where:
Base-Base interactions energy: -243.661
where: short stacking energy: -116.295
Base-Backbone interact. energy: -0.239
local terms energy: -113.844221
where:
bonds (distance) C4'-P energy: -22.198
bonds (distance) P-C4' energy: -19.705
flat angles C4'-P-C4' energy: -24.403
flat angles P-C4'-P energy: -16.229
tors. eta vs tors. theta energy: -31.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -366.750172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.750172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.750172 (E_RNA)
where:
Base-Base interactions energy: -249.655
where: short stacking energy: -109.437
Base-Backbone interact. energy: -0.513
local terms energy: -116.582044
where:
bonds (distance) C4'-P energy: -21.945
bonds (distance) P-C4' energy: -18.446
flat angles C4'-P-C4' energy: -24.233
flat angles P-C4'-P energy: -17.257
tors. eta vs tors. theta energy: -34.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -333.378745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.378745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.378745 (E_RNA)
where:
Base-Base interactions energy: -223.995
where: short stacking energy: -97.690
Base-Backbone interact. energy: -0.257
local terms energy: -109.126907
where:
bonds (distance) C4'-P energy: -25.587
bonds (distance) P-C4' energy: -20.450
flat angles C4'-P-C4' energy: -24.567
flat angles P-C4'-P energy: -13.430
tors. eta vs tors. theta energy: -25.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -287.126015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.126015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.126015 (E_RNA)
where:
Base-Base interactions energy: -180.953
where: short stacking energy: -85.559
Base-Backbone interact. energy: -0.205
local terms energy: -105.967152
where:
bonds (distance) C4'-P energy: -17.272
bonds (distance) P-C4' energy: -21.841
flat angles C4'-P-C4' energy: -27.527
flat angles P-C4'-P energy: -18.810
tors. eta vs tors. theta energy: -20.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -254.111851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.111851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.111851 (E_RNA)
where:
Base-Base interactions energy: -155.537
where: short stacking energy: -72.305
Base-Backbone interact. energy: -0.489
local terms energy: -98.085743
where:
bonds (distance) C4'-P energy: -23.473
bonds (distance) P-C4' energy: -18.269
flat angles C4'-P-C4' energy: -24.674
flat angles P-C4'-P energy: -17.422
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: 6, replica: 1
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -260.990610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.990610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.990610 (E_RNA)
where:
Base-Base interactions energy: -177.923
where: short stacking energy: -85.635
Base-Backbone interact. energy: -0.098
local terms energy: -82.969463
where:
bonds (distance) C4'-P energy: -15.053
bonds (distance) P-C4' energy: -19.128
flat angles C4'-P-C4' energy: -17.426
flat angles P-C4'-P energy: -13.529
tors. eta vs tors. theta energy: -17.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -251.962866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.962866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.962866 (E_RNA)
where:
Base-Base interactions energy: -161.399
where: short stacking energy: -74.710
Base-Backbone interact. energy: -0.631
local terms energy: -89.932967
where:
bonds (distance) C4'-P energy: -17.473
bonds (distance) P-C4' energy: -24.236
flat angles C4'-P-C4' energy: -18.788
flat angles P-C4'-P energy: -8.912
tors. eta vs tors. theta energy: -20.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -249.773145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.773145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.773145 (E_RNA)
where:
Base-Base interactions energy: -164.789
where: short stacking energy: -82.242
Base-Backbone interact. energy: -0.070
local terms energy: -84.914015
where:
bonds (distance) C4'-P energy: -17.572
bonds (distance) P-C4' energy: -18.213
flat angles C4'-P-C4' energy: -18.702
flat angles P-C4'-P energy: -10.394
tors. eta vs tors. theta energy: -20.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -230.536577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.536577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.536577 (E_RNA)
where:
Base-Base interactions energy: -151.311
where: short stacking energy: -63.362
Base-Backbone interact. energy: 0.563
local terms energy: -79.788787
where:
bonds (distance) C4'-P energy: -20.782
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -19.831
flat angles P-C4'-P energy: -14.032
tors. eta vs tors. theta energy: -8.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -113.534579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.534579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.534579 (E_RNA)
where:
Base-Base interactions energy: -46.942
where: short stacking energy: -34.039
Base-Backbone interact. energy: -0.182
local terms energy: -66.410291
where:
bonds (distance) C4'-P energy: -14.704
bonds (distance) P-C4' energy: -26.229
flat angles C4'-P-C4' energy: -17.479
flat angles P-C4'-P energy: -6.381
tors. eta vs tors. theta energy: -1.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -352.769245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.769245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.769245 (E_RNA)
where:
Base-Base interactions energy: -237.669
where: short stacking energy: -113.855
Base-Backbone interact. energy: -0.059
local terms energy: -115.041383
where:
bonds (distance) C4'-P energy: -26.760
bonds (distance) P-C4' energy: -19.688
flat angles C4'-P-C4' energy: -22.691
flat angles P-C4'-P energy: -17.544
tors. eta vs tors. theta energy: -28.359
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: 5
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -365.494711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.494711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.494711 (E_RNA)
where:
Base-Base interactions energy: -244.797
where: short stacking energy: -115.332
Base-Backbone interact. energy: -0.027
local terms energy: -120.671283
where:
bonds (distance) C4'-P energy: -22.486
bonds (distance) P-C4' energy: -23.909
flat angles C4'-P-C4' energy: -22.299
flat angles P-C4'-P energy: -17.235
tors. eta vs tors. theta energy: -34.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -326.336251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.336251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.336251 (E_RNA)
where:
Base-Base interactions energy: -226.853
where: short stacking energy: -95.753
Base-Backbone interact. energy: -0.652
local terms energy: -98.830867
where:
bonds (distance) C4'-P energy: -16.630
bonds (distance) P-C4' energy: -22.360
flat angles C4'-P-C4' energy: -20.283
flat angles P-C4'-P energy: -15.591
tors. eta vs tors. theta energy: -23.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -284.806207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.806207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.806207 (E_RNA)
where:
Base-Base interactions energy: -183.530
where: short stacking energy: -83.821
Base-Backbone interact. energy: -0.433
local terms energy: -100.843080
where:
bonds (distance) C4'-P energy: -25.108
bonds (distance) P-C4' energy: -23.501
flat angles C4'-P-C4' energy: -22.413
flat angles P-C4'-P energy: -14.348
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: 5, replica: 9
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -279.681172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.681172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.681172 (E_RNA)
where:
Base-Base interactions energy: -183.113
where: short stacking energy: -74.965
Base-Backbone interact. energy: -0.095
local terms energy: -96.472791
where:
bonds (distance) C4'-P energy: -22.379
bonds (distance) P-C4' energy: -16.975
flat angles C4'-P-C4' energy: -24.459
flat angles P-C4'-P energy: -11.996
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: 6, replica: 1
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -265.042536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.042536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.042536 (E_RNA)
where:
Base-Base interactions energy: -172.408
where: short stacking energy: -84.213
Base-Backbone interact. energy: -0.150
local terms energy: -92.483954
where:
bonds (distance) C4'-P energy: -17.716
bonds (distance) P-C4' energy: -22.263
flat angles C4'-P-C4' energy: -17.285
flat angles P-C4'-P energy: -15.324
tors. eta vs tors. theta energy: -19.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -248.599964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.599964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.599964 (E_RNA)
where:
Base-Base interactions energy: -159.191
where: short stacking energy: -72.068
Base-Backbone interact. energy: 2.285
local terms energy: -91.693774
where:
bonds (distance) C4'-P energy: -21.699
bonds (distance) P-C4' energy: -18.912
flat angles C4'-P-C4' energy: -22.098
flat angles P-C4'-P energy: -11.937
tors. eta vs tors. theta energy: -17.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -247.647886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.647886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.647886 (E_RNA)
where:
Base-Base interactions energy: -155.112
where: short stacking energy: -72.155
Base-Backbone interact. energy: -0.149
local terms energy: -92.386237
where:
bonds (distance) C4'-P energy: -18.471
bonds (distance) P-C4' energy: -22.503
flat angles C4'-P-C4' energy: -20.128
flat angles P-C4'-P energy: -16.289
tors. eta vs tors. theta energy: -14.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -239.591960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.591960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.591960 (E_RNA)
where:
Base-Base interactions energy: -154.629
where: short stacking energy: -64.179
Base-Backbone interact. energy: 2.007
local terms energy: -86.970079
where:
bonds (distance) C4'-P energy: -18.089
bonds (distance) P-C4' energy: -21.348
flat angles C4'-P-C4' energy: -20.290
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -17.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -115.385720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.385720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.385720 (E_RNA)
where:
Base-Base interactions energy: -39.793
where: short stacking energy: -39.793
Base-Backbone interact. energy: -0.058
local terms energy: -75.534537
where:
bonds (distance) C4'-P energy: -24.081
bonds (distance) P-C4' energy: -18.937
flat angles C4'-P-C4' energy: -18.480
flat angles P-C4'-P energy: -11.416
tors. eta vs tors. theta energy: -2.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -376.991715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.991715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.991715 (E_RNA)
where:
Base-Base interactions energy: -261.228
where: short stacking energy: -102.625
Base-Backbone interact. energy: -0.212
local terms energy: -115.551831
where:
bonds (distance) C4'-P energy: -22.824
bonds (distance) P-C4' energy: -24.825
flat angles C4'-P-C4' energy: -20.597
flat angles P-C4'-P energy: -15.096
tors. eta vs tors. theta energy: -32.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -338.659192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.659192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.659192 (E_RNA)
where:
Base-Base interactions energy: -228.564
where: short stacking energy: -98.815
Base-Backbone interact. energy: -0.374
local terms energy: -109.721322
where:
bonds (distance) C4'-P energy: -17.778
bonds (distance) P-C4' energy: -19.666
flat angles C4'-P-C4' energy: -26.210
flat angles P-C4'-P energy: -16.965
tors. eta vs tors. theta energy: -29.101
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: 7
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -325.720434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.720434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.720434 (E_RNA)
where:
Base-Base interactions energy: -219.394
where: short stacking energy: -100.286
Base-Backbone interact. energy: -0.524
local terms energy: -105.802569
where:
bonds (distance) C4'-P energy: -19.498
bonds (distance) P-C4' energy: -22.788
flat angles C4'-P-C4' energy: -25.953
flat angles P-C4'-P energy: -13.714
tors. eta vs tors. theta energy: -23.849
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: 6
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -285.172194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.172194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.172194 (E_RNA)
where:
Base-Base interactions energy: -175.236
where: short stacking energy: -92.259
Base-Backbone interact. energy: -0.890
local terms energy: -109.046200
where:
bonds (distance) C4'-P energy: -21.399
bonds (distance) P-C4' energy: -22.398
flat angles C4'-P-C4' energy: -23.310
flat angles P-C4'-P energy: -18.243
tors. eta vs tors. theta energy: -23.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -276.044506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.044506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.044506 (E_RNA)
where:
Base-Base interactions energy: -177.177
where: short stacking energy: -73.244
Base-Backbone interact. energy: -0.624
local terms energy: -98.243772
where:
bonds (distance) C4'-P energy: -21.162
bonds (distance) P-C4' energy: -22.341
flat angles C4'-P-C4' energy: -26.046
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: -19.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -274.814546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.814546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.814546 (E_RNA)
where:
Base-Base interactions energy: -192.625
where: short stacking energy: -81.953
Base-Backbone interact. energy: -0.117
local terms energy: -82.072488
where:
bonds (distance) C4'-P energy: -16.609
bonds (distance) P-C4' energy: -10.328
flat angles C4'-P-C4' energy: -19.481
flat angles P-C4'-P energy: -17.631
tors. eta vs tors. theta energy: -18.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -263.135498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.135498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.135498 (E_RNA)
where:
Base-Base interactions energy: -172.842
where: short stacking energy: -76.569
Base-Backbone interact. energy: -0.183
local terms energy: -90.109779
where:
bonds (distance) C4'-P energy: -20.366
bonds (distance) P-C4' energy: -17.102
flat angles C4'-P-C4' energy: -18.149
flat angles P-C4'-P energy: -8.095
tors. eta vs tors. theta energy: -26.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -240.493750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.493750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.493750 (E_RNA)
where:
Base-Base interactions energy: -150.331
where: short stacking energy: -69.550
Base-Backbone interact. energy: -0.308
local terms energy: -89.855506
where:
bonds (distance) C4'-P energy: -22.619
bonds (distance) P-C4' energy: -21.734
flat angles C4'-P-C4' energy: -19.995
flat angles P-C4'-P energy: -12.354
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: 9, replica: 8
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -204.895607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.895607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.895607 (E_RNA)
where:
Base-Base interactions energy: -119.823
where: short stacking energy: -53.881
Base-Backbone interact. energy: -0.124
local terms energy: -84.948201
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -24.307
flat angles C4'-P-C4' energy: -22.584
flat angles P-C4'-P energy: -14.160
tors. eta vs tors. theta energy: -8.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -127.194519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.194519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.194519 (E_RNA)
where:
Base-Base interactions energy: -54.720
where: short stacking energy: -45.029
Base-Backbone interact. energy: -0.057
local terms energy: -72.417730
where:
bonds (distance) C4'-P energy: -24.293
bonds (distance) P-C4' energy: -10.782
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -16.470
tors. eta vs tors. theta energy: -5.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -366.848381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.848381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.848381 (E_RNA)
where:
Base-Base interactions energy: -250.926
where: short stacking energy: -98.454
Base-Backbone interact. energy: -0.103
local terms energy: -115.819491
where:
bonds (distance) C4'-P energy: -24.574
bonds (distance) P-C4' energy: -21.957
flat angles C4'-P-C4' energy: -25.500
flat angles P-C4'-P energy: -11.158
tors. eta vs tors. theta energy: -32.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -315.159410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.159410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.159410 (E_RNA)
where:
Base-Base interactions energy: -203.738
where: short stacking energy: -88.182
Base-Backbone interact. energy: -0.578
local terms energy: -110.843605
where:
bonds (distance) C4'-P energy: -21.799
bonds (distance) P-C4' energy: -19.174
flat angles C4'-P-C4' energy: -26.030
flat angles P-C4'-P energy: -21.447
tors. eta vs tors. theta energy: -22.393
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: 4
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -341.190904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.190904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.190904 (E_RNA)
where:
Base-Base interactions energy: -224.792
where: short stacking energy: -90.507
Base-Backbone interact. energy: -0.145
local terms energy: -116.253789
where:
bonds (distance) C4'-P energy: -20.834
bonds (distance) P-C4' energy: -26.471
flat angles C4'-P-C4' energy: -23.260
flat angles P-C4'-P energy: -15.310
tors. eta vs tors. theta energy: -30.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -283.624927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.624927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.624927 (E_RNA)
where:
Base-Base interactions energy: -180.283
where: short stacking energy: -93.988
Base-Backbone interact. energy: -0.069
local terms energy: -103.273299
where:
bonds (distance) C4'-P energy: -24.628
bonds (distance) P-C4' energy: -20.886
flat angles C4'-P-C4' energy: -23.046
flat angles P-C4'-P energy: -8.864
tors. eta vs tors. theta energy: -25.848
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: 6
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -274.972989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.972989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.972989 (E_RNA)
where:
Base-Base interactions energy: -171.834
where: short stacking energy: -75.736
Base-Backbone interact. energy: -0.450
local terms energy: -102.689549
where:
bonds (distance) C4'-P energy: -21.191
bonds (distance) P-C4' energy: -24.236
flat angles C4'-P-C4' energy: -20.187
flat angles P-C4'-P energy: -13.651
tors. eta vs tors. theta energy: -23.424
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: 3
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -273.413205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.413205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.413205 (E_RNA)
where:
Base-Base interactions energy: -166.250
where: short stacking energy: -81.206
Base-Backbone interact. energy: -0.065
local terms energy: -107.098225
where:
bonds (distance) C4'-P energy: -22.631
bonds (distance) P-C4' energy: -22.993
flat angles C4'-P-C4' energy: -22.504
flat angles P-C4'-P energy: -16.863
tors. eta vs tors. theta energy: -22.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -264.897382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.897382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.897382 (E_RNA)
where:
Base-Base interactions energy: -182.267
where: short stacking energy: -75.999
Base-Backbone interact. energy: -0.760
local terms energy: -81.870445
where:
bonds (distance) C4'-P energy: -17.154
bonds (distance) P-C4' energy: -19.963
flat angles C4'-P-C4' energy: -17.942
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -16.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -230.644749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.644749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.644749 (E_RNA)
where:
Base-Base interactions energy: -144.507
where: short stacking energy: -70.060
Base-Backbone interact. energy: -0.868
local terms energy: -85.269358
where:
bonds (distance) C4'-P energy: -17.454
bonds (distance) P-C4' energy: -18.392
flat angles C4'-P-C4' energy: -17.699
flat angles P-C4'-P energy: -12.723
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: 9, replica: 10
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -230.964091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.964091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.964091 (E_RNA)
where:
Base-Base interactions energy: -150.535
where: short stacking energy: -71.791
Base-Backbone interact. energy: -0.174
local terms energy: -80.255595
where:
bonds (distance) C4'-P energy: -19.651
bonds (distance) P-C4' energy: -20.824
flat angles C4'-P-C4' energy: -16.718
flat angles P-C4'-P energy: -6.080
tors. eta vs tors. theta energy: -16.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -110.975734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.975734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.975734 (E_RNA)
where:
Base-Base interactions energy: -42.884
where: short stacking energy: -29.815
Base-Backbone interact. energy: -0.766
local terms energy: -67.325177
where:
bonds (distance) C4'-P energy: -16.923
bonds (distance) P-C4' energy: -20.257
flat angles C4'-P-C4' energy: -20.226
flat angles P-C4'-P energy: -9.284
tors. eta vs tors. theta energy: -0.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -337.935037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.935037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.935037 (E_RNA)
where:
Base-Base interactions energy: -233.208
where: short stacking energy: -95.286
Base-Backbone interact. energy: -0.308
local terms energy: -104.418429
where:
bonds (distance) C4'-P energy: -21.154
bonds (distance) P-C4' energy: -22.809
flat angles C4'-P-C4' energy: -25.388
flat angles P-C4'-P energy: -12.269
tors. eta vs tors. theta energy: -22.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -369.697624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.697624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.697624 (E_RNA)
where:
Base-Base interactions energy: -255.249
where: short stacking energy: -114.337
Base-Backbone interact. energy: -0.013
local terms energy: -114.435585
where:
bonds (distance) C4'-P energy: -16.054
bonds (distance) P-C4' energy: -26.489
flat angles C4'-P-C4' energy: -21.031
flat angles P-C4'-P energy: -17.595
tors. eta vs tors. theta energy: -33.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -347.083364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.083364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.083364 (E_RNA)
where:
Base-Base interactions energy: -230.965
where: short stacking energy: -97.623
Base-Backbone interact. energy: 0.018
local terms energy: -116.136108
where:
bonds (distance) C4'-P energy: -20.714
bonds (distance) P-C4' energy: -25.476
flat angles C4'-P-C4' energy: -23.116
flat angles P-C4'-P energy: -18.378
tors. eta vs tors. theta energy: -28.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -273.586772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.586772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.586772 (E_RNA)
where:
Base-Base interactions energy: -165.717
where: short stacking energy: -80.293
Base-Backbone interact. energy: -0.116
local terms energy: -107.754108
where:
bonds (distance) C4'-P energy: -21.678
bonds (distance) P-C4' energy: -23.559
flat angles C4'-P-C4' energy: -25.101
flat angles P-C4'-P energy: -12.586
tors. eta vs tors. theta energy: -24.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -278.349925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.349925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.349925 (E_RNA)
where:
Base-Base interactions energy: -178.627
where: short stacking energy: -80.583
Base-Backbone interact. energy: -0.309
local terms energy: -99.414272
where:
bonds (distance) C4'-P energy: -20.373
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -23.267
flat angles P-C4'-P energy: -19.427
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: 6, replica: 3
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -270.773361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.773361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.773361 (E_RNA)
where:
Base-Base interactions energy: -176.297
where: short stacking energy: -77.339
Base-Backbone interact. energy: -0.065
local terms energy: -94.412010
where:
bonds (distance) C4'-P energy: -22.437
bonds (distance) P-C4' energy: -18.572
flat angles C4'-P-C4' energy: -23.373
flat angles P-C4'-P energy: -12.924
tors. eta vs tors. theta energy: -17.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -256.538980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.538980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.538980 (E_RNA)
where:
Base-Base interactions energy: -171.851
where: short stacking energy: -74.952
Base-Backbone interact. energy: -1.497
local terms energy: -83.191057
where:
bonds (distance) C4'-P energy: -10.993
bonds (distance) P-C4' energy: -20.919
flat angles C4'-P-C4' energy: -19.485
flat angles P-C4'-P energy: -11.231
tors. eta vs tors. theta energy: -20.562
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: 8
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -255.427152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.427152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.427152 (E_RNA)
where:
Base-Base interactions energy: -166.226
where: short stacking energy: -79.966
Base-Backbone interact. energy: 0.723
local terms energy: -89.923500
where:
bonds (distance) C4'-P energy: -16.940
bonds (distance) P-C4' energy: -19.351
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -16.272
tors. eta vs tors. theta energy: -20.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -252.796163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.796163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.796163 (E_RNA)
where:
Base-Base interactions energy: -174.440
where: short stacking energy: -70.193
Base-Backbone interact. energy: -0.095
local terms energy: -78.261848
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -19.306
flat angles C4'-P-C4' energy: -18.833
flat angles P-C4'-P energy: -12.739
tors. eta vs tors. theta energy: -14.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -100.219505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.219505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.219505 (E_RNA)
where:
Base-Base interactions energy: -34.818
where: short stacking energy: -32.199
Base-Backbone interact. energy: 1.053
local terms energy: -66.454766
where:
bonds (distance) C4'-P energy: -15.766
bonds (distance) P-C4' energy: -21.257
flat angles C4'-P-C4' energy: -21.785
flat angles P-C4'-P energy: -10.831
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: 7
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -352.497400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.497400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.497400 (E_RNA)
where:
Base-Base interactions energy: -241.444
where: short stacking energy: -102.483
Base-Backbone interact. energy: -0.371
local terms energy: -110.682497
where:
bonds (distance) C4'-P energy: -21.547
bonds (distance) P-C4' energy: -22.273
flat angles C4'-P-C4' energy: -22.500
flat angles P-C4'-P energy: -18.962
tors. eta vs tors. theta energy: -25.401
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: 387
Temperature: 0.950000
Total energy: -357.458532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.458532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.458532 (E_RNA)
where:
Base-Base interactions energy: -245.125
where: short stacking energy: -105.830
Base-Backbone interact. energy: -0.052
local terms energy: -112.281669
where:
bonds (distance) C4'-P energy: -19.117
bonds (distance) P-C4' energy: -24.887
flat angles C4'-P-C4' energy: -18.761
flat angles P-C4'-P energy: -15.896
tors. eta vs tors. theta energy: -33.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -350.346655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.346655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.346655 (E_RNA)
where:
Base-Base interactions energy: -247.984
where: short stacking energy: -100.541
Base-Backbone interact. energy: -0.252
local terms energy: -102.110739
where:
bonds (distance) C4'-P energy: -15.189
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -26.347
flat angles P-C4'-P energy: -15.361
tors. eta vs tors. theta energy: -32.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -261.918875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.918875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.918875 (E_RNA)
where:
Base-Base interactions energy: -155.890
where: short stacking energy: -72.862
Base-Backbone interact. energy: -0.105
local terms energy: -105.923742
where:
bonds (distance) C4'-P energy: -22.316
bonds (distance) P-C4' energy: -26.010
flat angles C4'-P-C4' energy: -22.894
flat angles P-C4'-P energy: -19.342
tors. eta vs tors. theta energy: -15.363
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: 5, replica: 6
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -278.915357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.915357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.915357 (E_RNA)
where:
Base-Base interactions energy: -181.721
where: short stacking energy: -92.291
Base-Backbone interact. energy: 1.006
local terms energy: -98.200789
where:
bonds (distance) C4'-P energy: -25.675
bonds (distance) P-C4' energy: -25.910
flat angles C4'-P-C4' energy: -11.281
flat angles P-C4'-P energy: -14.059
tors. eta vs tors. theta energy: -21.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -277.207392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.207392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.207392 (E_RNA)
where:
Base-Base interactions energy: -191.845
where: short stacking energy: -89.204
Base-Backbone interact. energy: -0.122
local terms energy: -85.240644
where:
bonds (distance) C4'-P energy: -23.389
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -10.290
flat angles P-C4'-P energy: -11.911
tors. eta vs tors. theta energy: -23.836
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: 7, replica: 3
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -268.770714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.770714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.770714 (E_RNA)
where:
Base-Base interactions energy: -175.627
where: short stacking energy: -74.596
Base-Backbone interact. energy: -0.290
local terms energy: -92.853018
where:
bonds (distance) C4'-P energy: -23.179
bonds (distance) P-C4' energy: -21.316
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -13.436
tors. eta vs tors. theta energy: -19.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -214.273832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.273832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.273832 (E_RNA)
where:
Base-Base interactions energy: -127.883
where: short stacking energy: -58.060
Base-Backbone interact. energy: 0.148
local terms energy: -86.538726
where:
bonds (distance) C4'-P energy: -20.226
bonds (distance) P-C4' energy: -19.532
flat angles C4'-P-C4' energy: -22.104
flat angles P-C4'-P energy: -16.029
tors. eta vs tors. theta energy: -8.647
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: 8
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -213.741068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.741068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.741068 (E_RNA)
where:
Base-Base interactions energy: -125.239
where: short stacking energy: -62.800
Base-Backbone interact. energy: -1.644
local terms energy: -86.858607
where:
bonds (distance) C4'-P energy: -19.592
bonds (distance) P-C4' energy: -17.226
flat angles C4'-P-C4' energy: -21.319
flat angles P-C4'-P energy: -12.022
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: 10, replica: 2
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -102.539712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.539712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.539712 (E_RNA)
where:
Base-Base interactions energy: -41.730
where: short stacking energy: -32.033
Base-Backbone interact. energy: 0.388
local terms energy: -61.197542
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -14.515
flat angles C4'-P-C4' energy: -18.223
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: -0.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -365.512073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.512073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.512073 (E_RNA)
where:
Base-Base interactions energy: -240.936
where: short stacking energy: -111.558
Base-Backbone interact. energy: -0.068
local terms energy: -124.508235
where:
bonds (distance) C4'-P energy: -24.796
bonds (distance) P-C4' energy: -24.507
flat angles C4'-P-C4' energy: -26.305
flat angles P-C4'-P energy: -16.232
tors. eta vs tors. theta energy: -32.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -344.661273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.661273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.661273 (E_RNA)
where:
Base-Base interactions energy: -241.381
where: short stacking energy: -95.589
Base-Backbone interact. energy: -1.047
local terms energy: -102.233106
where:
bonds (distance) C4'-P energy: -18.679
bonds (distance) P-C4' energy: -22.462
flat angles C4'-P-C4' energy: -22.138
flat angles P-C4'-P energy: -13.420
tors. eta vs tors. theta energy: -25.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -339.969307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.969307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.969307 (E_RNA)
where:
Base-Base interactions energy: -231.715
where: short stacking energy: -94.979
Base-Backbone interact. energy: -0.233
local terms energy: -108.021749
where:
bonds (distance) C4'-P energy: -20.797
bonds (distance) P-C4' energy: -22.303
flat angles C4'-P-C4' energy: -22.423
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -30.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -281.555686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.555686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.555686 (E_RNA)
where:
Base-Base interactions energy: -177.232
where: short stacking energy: -87.491
Base-Backbone interact. energy: -0.510
local terms energy: -103.814067
where:
bonds (distance) C4'-P energy: -21.681
bonds (distance) P-C4' energy: -21.763
flat angles C4'-P-C4' energy: -24.340
flat angles P-C4'-P energy: -14.362
tors. eta vs tors. theta energy: -21.668
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: 6
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -284.060291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.060291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.060291 (E_RNA)
where:
Base-Base interactions energy: -191.552
where: short stacking energy: -81.335
Base-Backbone interact. energy: 0.174
local terms energy: -92.681936
where:
bonds (distance) C4'-P energy: -18.385
bonds (distance) P-C4' energy: -23.450
flat angles C4'-P-C4' energy: -19.531
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -20.512
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: 1
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -271.275021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.275021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.275021 (E_RNA)
where:
Base-Base interactions energy: -178.442
where: short stacking energy: -87.744
Base-Backbone interact. energy: -0.151
local terms energy: -92.682607
where:
bonds (distance) C4'-P energy: -17.928
bonds (distance) P-C4' energy: -21.122
flat angles C4'-P-C4' energy: -21.270
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -22.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -258.221951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.221951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.221951 (E_RNA)
where:
Base-Base interactions energy: -167.153
where: short stacking energy: -80.154
Base-Backbone interact. energy: -1.298
local terms energy: -89.771030
where:
bonds (distance) C4'-P energy: -14.862
bonds (distance) P-C4' energy: -23.366
flat angles C4'-P-C4' energy: -16.587
flat angles P-C4'-P energy: -15.637
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: 8, replica: 10
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -246.177271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.177271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.177271 (E_RNA)
where:
Base-Base interactions energy: -157.520
where: short stacking energy: -59.655
Base-Backbone interact. energy: -0.070
local terms energy: -88.587337
where:
bonds (distance) C4'-P energy: -23.998
bonds (distance) P-C4' energy: -19.951
flat angles C4'-P-C4' energy: -21.746
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -13.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -203.601349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.601349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.601349 (E_RNA)
where:
Base-Base interactions energy: -132.456
where: short stacking energy: -61.811
Base-Backbone interact. energy: -0.106
local terms energy: -71.038597
where:
bonds (distance) C4'-P energy: -17.551
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -15.863
flat angles P-C4'-P energy: -10.889
tors. eta vs tors. theta energy: -11.882
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: 2
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -110.370482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.370482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.370482 (E_RNA)
where:
Base-Base interactions energy: -32.666
where: short stacking energy: -32.094
Base-Backbone interact. energy: -0.382
local terms energy: -77.322465
where:
bonds (distance) C4'-P energy: -22.752
bonds (distance) P-C4' energy: -20.523
flat angles C4'-P-C4' energy: -17.170
flat angles P-C4'-P energy: -11.679
tors. eta vs tors. theta energy: -5.198
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: 1, replica: 5
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -366.152786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.152786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.152786 (E_RNA)
where:
Base-Base interactions energy: -236.520
where: short stacking energy: -109.038
Base-Backbone interact. energy: -0.002
local terms energy: -129.631545
where:
bonds (distance) C4'-P energy: -24.145
bonds (distance) P-C4' energy: -25.148
flat angles C4'-P-C4' energy: -26.240
flat angles P-C4'-P energy: -20.026
tors. eta vs tors. theta energy: -34.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -355.849124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.849124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.849124 (E_RNA)
where:
Base-Base interactions energy: -246.034
where: short stacking energy: -101.685
Base-Backbone interact. energy: -1.393
local terms energy: -108.422481
where:
bonds (distance) C4'-P energy: -20.414
bonds (distance) P-C4' energy: -23.066
flat angles C4'-P-C4' energy: -19.661
flat angles P-C4'-P energy: -14.693
tors. eta vs tors. theta energy: -30.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -330.768862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.768862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.768862 (E_RNA)
where:
Base-Base interactions energy: -222.842
where: short stacking energy: -80.581
Base-Backbone interact. energy: -1.868
local terms energy: -106.059039
where:
bonds (distance) C4'-P energy: -23.329
bonds (distance) P-C4' energy: -22.231
flat angles C4'-P-C4' energy: -23.429
flat angles P-C4'-P energy: -18.862
tors. eta vs tors. theta energy: -18.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -270.797162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.797162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.797162 (E_RNA)
where:
Base-Base interactions energy: -170.043
where: short stacking energy: -79.009
Base-Backbone interact. energy: 0.890
local terms energy: -101.644814
where:
bonds (distance) C4'-P energy: -23.550
bonds (distance) P-C4' energy: -19.346
flat angles C4'-P-C4' energy: -20.792
flat angles P-C4'-P energy: -18.428
tors. eta vs tors. theta energy: -19.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -295.028082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.028082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.028082 (E_RNA)
where:
Base-Base interactions energy: -195.967
where: short stacking energy: -90.080
Base-Backbone interact. energy: -0.201
local terms energy: -98.860113
where:
bonds (distance) C4'-P energy: -18.145
bonds (distance) P-C4' energy: -23.799
flat angles C4'-P-C4' energy: -18.275
flat angles P-C4'-P energy: -17.241
tors. eta vs tors. theta energy: -21.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -274.018572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.018572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.018572 (E_RNA)
where:
Base-Base interactions energy: -173.412
where: short stacking energy: -85.620
Base-Backbone interact. energy: -0.074
local terms energy: -100.532574
where:
bonds (distance) C4'-P energy: -23.054
bonds (distance) P-C4' energy: -20.545
flat angles C4'-P-C4' energy: -17.459
flat angles P-C4'-P energy: -17.906
tors. eta vs tors. theta energy: -21.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -256.998177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.998177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.998177 (E_RNA)
where:
Base-Base interactions energy: -160.329
where: short stacking energy: -71.617
Base-Backbone interact. energy: -0.069
local terms energy: -96.599398
where:
bonds (distance) C4'-P energy: -22.277
bonds (distance) P-C4' energy: -20.008
flat angles C4'-P-C4' energy: -22.883
flat angles P-C4'-P energy: -15.863
tors. eta vs tors. theta energy: -15.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -218.423643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.423643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.423643 (E_RNA)
where:
Base-Base interactions energy: -139.378
where: short stacking energy: -61.615
Base-Backbone interact. energy: 0.112
local terms energy: -79.157768
where:
bonds (distance) C4'-P energy: -18.438
bonds (distance) P-C4' energy: -20.133
flat angles C4'-P-C4' energy: -16.380
flat angles P-C4'-P energy: -12.082
tors. eta vs tors. theta energy: -12.125
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: 8
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -185.167108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.167108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.167108 (E_RNA)
where:
Base-Base interactions energy: -120.136
where: short stacking energy: -52.790
Base-Backbone interact. energy: -0.297
local terms energy: -64.733928
where:
bonds (distance) C4'-P energy: -20.381
bonds (distance) P-C4' energy: -10.235
flat angles C4'-P-C4' energy: -17.932
flat angles P-C4'-P energy: -5.610
tors. eta vs tors. theta energy: -10.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -152.391993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.391993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.391993 (E_RNA)
where:
Base-Base interactions energy: -63.983
where: short stacking energy: -36.300
Base-Backbone interact. energy: 1.421
local terms energy: -89.830199
where:
bonds (distance) C4'-P energy: -22.445
bonds (distance) P-C4' energy: -20.704
flat angles C4'-P-C4' energy: -21.560
flat angles P-C4'-P energy: -16.134
tors. eta vs tors. theta energy: -8.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -369.157700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.157700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.157700 (E_RNA)
where:
Base-Base interactions energy: -254.953
where: short stacking energy: -114.787
Base-Backbone interact. energy: -0.203
local terms energy: -114.001859
where:
bonds (distance) C4'-P energy: -21.718
bonds (distance) P-C4' energy: -19.362
flat angles C4'-P-C4' energy: -24.737
flat angles P-C4'-P energy: -14.456
tors. eta vs tors. theta energy: -33.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -353.595591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.595591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.595591 (E_RNA)
where:
Base-Base interactions energy: -241.809
where: short stacking energy: -100.187
Base-Backbone interact. energy: -0.219
local terms energy: -111.567766
where:
bonds (distance) C4'-P energy: -20.182
bonds (distance) P-C4' energy: -23.676
flat angles C4'-P-C4' energy: -22.496
flat angles P-C4'-P energy: -17.031
tors. eta vs tors. theta energy: -28.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -296.709090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.709090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.709090 (E_RNA)
where:
Base-Base interactions energy: -190.829
where: short stacking energy: -97.805
Base-Backbone interact. energy: -0.634
local terms energy: -105.246767
where:
bonds (distance) C4'-P energy: -19.987
bonds (distance) P-C4' energy: -23.334
flat angles C4'-P-C4' energy: -18.584
flat angles P-C4'-P energy: -18.166
tors. eta vs tors. theta energy: -25.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -313.890747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.890747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.890747 (E_RNA)
where:
Base-Base interactions energy: -215.913
where: short stacking energy: -100.402
Base-Backbone interact. energy: -0.128
local terms energy: -97.849421
where:
bonds (distance) C4'-P energy: -16.038
bonds (distance) P-C4' energy: -22.555
flat angles C4'-P-C4' energy: -19.304
flat angles P-C4'-P energy: -13.820
tors. eta vs tors. theta energy: -26.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -270.693074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.693074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.693074 (E_RNA)
where:
Base-Base interactions energy: -178.904
where: short stacking energy: -83.311
Base-Backbone interact. energy: 3.430
local terms energy: -95.218394
where:
bonds (distance) C4'-P energy: -16.742
bonds (distance) P-C4' energy: -17.233
flat angles C4'-P-C4' energy: -25.201
flat angles P-C4'-P energy: -15.190
tors. eta vs tors. theta energy: -20.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -269.124525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.124525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.124525 (E_RNA)
where:
Base-Base interactions energy: -160.925
where: short stacking energy: -78.222
Base-Backbone interact. energy: -0.013
local terms energy: -108.186884
where:
bonds (distance) C4'-P energy: -24.163
bonds (distance) P-C4' energy: -22.823
flat angles C4'-P-C4' energy: -25.935
flat angles P-C4'-P energy: -14.633
tors. eta vs tors. theta energy: -20.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -240.072262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.072262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.072262 (E_RNA)
where:
Base-Base interactions energy: -159.727
where: short stacking energy: -79.238
Base-Backbone interact. energy: -0.340
local terms energy: -80.005186
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -17.947
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -16.303
tors. eta vs tors. theta energy: -16.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -225.464544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.464544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.464544 (E_RNA)
where:
Base-Base interactions energy: -134.017
where: short stacking energy: -47.574
Base-Backbone interact. energy: -1.371
local terms energy: -90.076586
where:
bonds (distance) C4'-P energy: -23.253
bonds (distance) P-C4' energy: -25.029
flat angles C4'-P-C4' energy: -21.271
flat angles P-C4'-P energy: -12.703
tors. eta vs tors. theta energy: -7.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -182.444433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.444433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.444433 (E_RNA)
where:
Base-Base interactions energy: -110.933
where: short stacking energy: -54.827
Base-Backbone interact. energy: -0.754
local terms energy: -70.757774
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -16.901
flat angles C4'-P-C4' energy: -20.817
flat angles P-C4'-P energy: -12.541
tors. eta vs tors. theta energy: -8.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -138.479495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.479495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.479495 (E_RNA)
where:
Base-Base interactions energy: -70.745
where: short stacking energy: -43.243
Base-Backbone interact. energy: 0.742
local terms energy: -68.476584
where:
bonds (distance) C4'-P energy: -17.558
bonds (distance) P-C4' energy: -25.189
flat angles C4'-P-C4' energy: -19.749
flat angles P-C4'-P energy: -4.571
tors. eta vs tors. theta energy: -1.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -372.268209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.268209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.268209 (E_RNA)
where:
Base-Base interactions energy: -253.025
where: short stacking energy: -106.738
Base-Backbone interact. energy: -0.008
local terms energy: -119.235321
where:
bonds (distance) C4'-P energy: -21.761
bonds (distance) P-C4' energy: -22.083
flat angles C4'-P-C4' energy: -23.840
flat angles P-C4'-P energy: -16.413
tors. eta vs tors. theta energy: -35.139
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: 4
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -356.594493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.594493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.594493 (E_RNA)
where:
Base-Base interactions energy: -242.896
where: short stacking energy: -103.550
Base-Backbone interact. energy: -1.455
local terms energy: -112.243680
where:
bonds (distance) C4'-P energy: -20.936
bonds (distance) P-C4' energy: -22.008
flat angles C4'-P-C4' energy: -20.395
flat angles P-C4'-P energy: -18.972
tors. eta vs tors. theta energy: -29.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -287.487180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.487180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.487180 (E_RNA)
where:
Base-Base interactions energy: -186.207
where: short stacking energy: -88.955
Base-Backbone interact. energy: -1.293
local terms energy: -99.987204
where:
bonds (distance) C4'-P energy: -21.734
bonds (distance) P-C4' energy: -21.320
flat angles C4'-P-C4' energy: -22.317
flat angles P-C4'-P energy: -13.232
tors. eta vs tors. theta energy: -21.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -300.791879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.791879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.791879 (E_RNA)
where:
Base-Base interactions energy: -192.325
where: short stacking energy: -83.708
Base-Backbone interact. energy: -1.010
local terms energy: -107.456755
where:
bonds (distance) C4'-P energy: -23.854
bonds (distance) P-C4' energy: -20.606
flat angles C4'-P-C4' energy: -20.144
flat angles P-C4'-P energy: -18.607
tors. eta vs tors. theta energy: -24.245
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: 391
Temperature: 1.100000
Total energy: -272.291884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.291884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.291884 (E_RNA)
where:
Base-Base interactions energy: -169.472
where: short stacking energy: -76.618
Base-Backbone interact. energy: -0.506
local terms energy: -102.313719
where:
bonds (distance) C4'-P energy: -19.820
bonds (distance) P-C4' energy: -20.645
flat angles C4'-P-C4' energy: -24.637
flat angles P-C4'-P energy: -16.554
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: 6, replica: 1
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -277.394085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.394085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.394085 (E_RNA)
where:
Base-Base interactions energy: -173.771
where: short stacking energy: -79.112
Base-Backbone interact. energy: 1.044
local terms energy: -104.666857
where:
bonds (distance) C4'-P energy: -22.977
bonds (distance) P-C4' energy: -20.128
flat angles C4'-P-C4' energy: -22.495
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: -26.522
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: 391
Temperature: 1.200000
Total energy: -270.022631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.022631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.022631 (E_RNA)
where:
Base-Base interactions energy: -182.193
where: short stacking energy: -70.679
Base-Backbone interact. energy: -0.132
local terms energy: -87.696983
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -19.402
flat angles C4'-P-C4' energy: -17.683
flat angles P-C4'-P energy: -14.374
tors. eta vs tors. theta energy: -21.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -206.907332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.907332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.907332 (E_RNA)
where:
Base-Base interactions energy: -120.766
where: short stacking energy: -60.408
Base-Backbone interact. energy: -0.187
local terms energy: -85.954523
where:
bonds (distance) C4'-P energy: -17.570
bonds (distance) P-C4' energy: -23.668
flat angles C4'-P-C4' energy: -20.140
flat angles P-C4'-P energy: -11.724
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: 9, replica: 8
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -188.651274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.651274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.651274 (E_RNA)
where:
Base-Base interactions energy: -108.668
where: short stacking energy: -55.652
Base-Backbone interact. energy: -0.714
local terms energy: -79.268793
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -20.993
flat angles C4'-P-C4' energy: -17.072
flat angles P-C4'-P energy: -17.396
tors. eta vs tors. theta energy: -8.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -110.674294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.674294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.674294 (E_RNA)
where:
Base-Base interactions energy: -43.419
where: short stacking energy: -32.718
Base-Backbone interact. energy: 0.181
local terms energy: -67.436991
where:
bonds (distance) C4'-P energy: -21.026
bonds (distance) P-C4' energy: -23.067
flat angles C4'-P-C4' energy: -14.445
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: -0.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -376.802174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.802174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.802174 (E_RNA)
where:
Base-Base interactions energy: -262.397
where: short stacking energy: -112.193
Base-Backbone interact. energy: -0.069
local terms energy: -114.335916
where:
bonds (distance) C4'-P energy: -22.451
bonds (distance) P-C4' energy: -23.008
flat angles C4'-P-C4' energy: -24.622
flat angles P-C4'-P energy: -12.332
tors. eta vs tors. theta energy: -31.924
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: 2, replica: 4
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -344.383147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.383147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.383147 (E_RNA)
where:
Base-Base interactions energy: -230.042
where: short stacking energy: -100.333
Base-Backbone interact. energy: -0.903
local terms energy: -113.438123
where:
bonds (distance) C4'-P energy: -23.193
bonds (distance) P-C4' energy: -22.857
flat angles C4'-P-C4' energy: -23.748
flat angles P-C4'-P energy: -14.028
tors. eta vs tors. theta energy: -29.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -328.998865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.998865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.998865 (E_RNA)
where:
Base-Base interactions energy: -224.217
where: short stacking energy: -100.165
Base-Backbone interact. energy: -0.676
local terms energy: -104.105773
where:
bonds (distance) C4'-P energy: -16.568
bonds (distance) P-C4' energy: -21.062
flat angles C4'-P-C4' energy: -26.280
flat angles P-C4'-P energy: -14.499
tors. eta vs tors. theta energy: -25.697
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: 392
Temperature: 1.050000
Total energy: -287.011396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.011396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.011396 (E_RNA)
where:
Base-Base interactions energy: -184.519
where: short stacking energy: -86.366
Base-Backbone interact. energy: -0.633
local terms energy: -101.859648
where:
bonds (distance) C4'-P energy: -23.638
bonds (distance) P-C4' energy: -18.571
flat angles C4'-P-C4' energy: -21.694
flat angles P-C4'-P energy: -16.858
tors. eta vs tors. theta energy: -21.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -279.397479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.397479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.397479 (E_RNA)
where:
Base-Base interactions energy: -175.436
where: short stacking energy: -88.412
Base-Backbone interact. energy: -0.765
local terms energy: -103.196275
where:
bonds (distance) C4'-P energy: -22.241
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -23.936
flat angles P-C4'-P energy: -13.686
tors. eta vs tors. theta energy: -27.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -261.008871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.008871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.008871 (E_RNA)
where:
Base-Base interactions energy: -166.422
where: short stacking energy: -78.544
Base-Backbone interact. energy: -0.148
local terms energy: -94.439043
where:
bonds (distance) C4'-P energy: -19.407
bonds (distance) P-C4' energy: -23.413
flat angles C4'-P-C4' energy: -15.215
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -25.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -234.306956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.306956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.306956 (E_RNA)
where:
Base-Base interactions energy: -143.161
where: short stacking energy: -71.242
Base-Backbone interact. energy: -0.463
local terms energy: -90.682905
where:
bonds (distance) C4'-P energy: -23.684
bonds (distance) P-C4' energy: -17.412
flat angles C4'-P-C4' energy: -15.535
flat angles P-C4'-P energy: -18.519
tors. eta vs tors. theta energy: -15.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -262.351606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.351606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.351606 (E_RNA)
where:
Base-Base interactions energy: -155.646
where: short stacking energy: -72.814
Base-Backbone interact. energy: -0.098
local terms energy: -106.607779
where:
bonds (distance) C4'-P energy: -20.996
bonds (distance) P-C4' energy: -21.046
flat angles C4'-P-C4' energy: -22.533
flat angles P-C4'-P energy: -18.523
tors. eta vs tors. theta energy: -23.510
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: 8
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -202.688372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.688372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.688372 (E_RNA)
where:
Base-Base interactions energy: -123.056
where: short stacking energy: -62.727
Base-Backbone interact. energy: 0.393
local terms energy: -80.026099
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -24.276
flat angles P-C4'-P energy: -11.817
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: 10, replica: 2
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -118.696762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.696762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.696762 (E_RNA)
where:
Base-Base interactions energy: -36.057
where: short stacking energy: -36.057
Base-Backbone interact. energy: -0.125
local terms energy: -82.514552
where:
bonds (distance) C4'-P energy: -23.688
bonds (distance) P-C4' energy: -25.505
flat angles C4'-P-C4' energy: -8.925
flat angles P-C4'-P energy: -15.928
tors. eta vs tors. theta energy: -8.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -362.154461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.154461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.154461 (E_RNA)
where:
Base-Base interactions energy: -250.241
where: short stacking energy: -109.404
Base-Backbone interact. energy: -0.055
local terms energy: -111.858737
where:
bonds (distance) C4'-P energy: -21.706
bonds (distance) P-C4' energy: -21.323
flat angles C4'-P-C4' energy: -17.461
flat angles P-C4'-P energy: -18.714
tors. eta vs tors. theta energy: -32.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -349.877358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.877358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.877358 (E_RNA)
where:
Base-Base interactions energy: -244.985
where: short stacking energy: -93.603
Base-Backbone interact. energy: -0.942
local terms energy: -103.950393
where:
bonds (distance) C4'-P energy: -21.140
bonds (distance) P-C4' energy: -21.301
flat angles C4'-P-C4' energy: -23.020
flat angles P-C4'-P energy: -13.007
tors. eta vs tors. theta energy: -25.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -345.997921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.997921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.997921 (E_RNA)
where:
Base-Base interactions energy: -235.558
where: short stacking energy: -96.513
Base-Backbone interact. energy: -1.739
local terms energy: -108.700214
where:
bonds (distance) C4'-P energy: -23.095
bonds (distance) P-C4' energy: -20.694
flat angles C4'-P-C4' energy: -24.668
flat angles P-C4'-P energy: -12.539
tors. eta vs tors. theta energy: -27.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -301.121257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.121257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.121257 (E_RNA)
where:
Base-Base interactions energy: -196.595
where: short stacking energy: -88.543
Base-Backbone interact. energy: -0.964
local terms energy: -103.561659
where:
bonds (distance) C4'-P energy: -22.003
bonds (distance) P-C4' energy: -24.692
flat angles C4'-P-C4' energy: -23.199
flat angles P-C4'-P energy: -14.136
tors. eta vs tors. theta energy: -19.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -285.523621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.523621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.523621 (E_RNA)
where:
Base-Base interactions energy: -187.086
where: short stacking energy: -89.025
Base-Backbone interact. energy: -0.887
local terms energy: -97.550842
where:
bonds (distance) C4'-P energy: -12.776
bonds (distance) P-C4' energy: -25.386
flat angles C4'-P-C4' energy: -23.379
flat angles P-C4'-P energy: -11.720
tors. eta vs tors. theta energy: -24.290
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: 9
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -265.748764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.748764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.748764 (E_RNA)
where:
Base-Base interactions energy: -173.917
where: short stacking energy: -75.741
Base-Backbone interact. energy: -0.104
local terms energy: -91.727414
where:
bonds (distance) C4'-P energy: -19.190
bonds (distance) P-C4' energy: -23.085
flat angles C4'-P-C4' energy: -19.281
flat angles P-C4'-P energy: -16.913
tors. eta vs tors. theta energy: -13.258
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: 393
Temperature: 1.200000
Total energy: -240.235575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.235575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.235575 (E_RNA)
where:
Base-Base interactions energy: -143.433
where: short stacking energy: -62.233
Base-Backbone interact. energy: -0.403
local terms energy: -96.399280
where:
bonds (distance) C4'-P energy: -21.627
bonds (distance) P-C4' energy: -25.224
flat angles C4'-P-C4' energy: -21.666
flat angles P-C4'-P energy: -8.457
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: 8, replica: 3
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -251.673121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.673121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.673121 (E_RNA)
where:
Base-Base interactions energy: -164.726
where: short stacking energy: -65.165
Base-Backbone interact. energy: -0.462
local terms energy: -86.484555
where:
bonds (distance) C4'-P energy: -20.470
bonds (distance) P-C4' energy: -22.094
flat angles C4'-P-C4' energy: -23.156
flat angles P-C4'-P energy: -9.952
tors. eta vs tors. theta energy: -10.813
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: 8
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -209.232427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.232427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.232427 (E_RNA)
where:
Base-Base interactions energy: -143.210
where: short stacking energy: -65.908
Base-Backbone interact. energy: -1.385
local terms energy: -64.638173
where:
bonds (distance) C4'-P energy: -18.132
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -17.718
flat angles P-C4'-P energy: -5.935
tors. eta vs tors. theta energy: -10.444
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: 10, replica: 2
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -116.924388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.924388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.924388 (E_RNA)
where:
Base-Base interactions energy: -54.745
where: short stacking energy: -23.302
Base-Backbone interact. energy: -0.804
local terms energy: -61.376269
where:
bonds (distance) C4'-P energy: -22.286
bonds (distance) P-C4' energy: -24.393
flat angles C4'-P-C4' energy: -16.196
flat angles P-C4'-P energy: -4.189
tors. eta vs tors. theta energy: 5.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -360.641819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.641819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.641819 (E_RNA)
where:
Base-Base interactions energy: -248.852
where: short stacking energy: -110.723
Base-Backbone interact. energy: -0.110
local terms energy: -111.680697
where:
bonds (distance) C4'-P energy: -25.617
bonds (distance) P-C4' energy: -21.814
flat angles C4'-P-C4' energy: -24.164
flat angles P-C4'-P energy: -11.202
tors. eta vs tors. theta energy: -28.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -367.017051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.017051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.017051 (E_RNA)
where:
Base-Base interactions energy: -247.386
where: short stacking energy: -110.077
Base-Backbone interact. energy: -0.097
local terms energy: -119.533639
where:
bonds (distance) C4'-P energy: -22.778
bonds (distance) P-C4' energy: -23.421
flat angles C4'-P-C4' energy: -26.323
flat angles P-C4'-P energy: -14.115
tors. eta vs tors. theta energy: -32.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -340.421889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.421889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.421889 (E_RNA)
where:
Base-Base interactions energy: -235.710
where: short stacking energy: -90.917
Base-Backbone interact. energy: -0.257
local terms energy: -104.454650
where:
bonds (distance) C4'-P energy: -23.336
bonds (distance) P-C4' energy: -26.394
flat angles C4'-P-C4' energy: -20.404
flat angles P-C4'-P energy: -12.239
tors. eta vs tors. theta energy: -22.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -303.507886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.507886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.507886 (E_RNA)
where:
Base-Base interactions energy: -200.459
where: short stacking energy: -93.217
Base-Backbone interact. energy: -0.045
local terms energy: -103.003868
where:
bonds (distance) C4'-P energy: -18.568
bonds (distance) P-C4' energy: -21.601
flat angles C4'-P-C4' energy: -22.308
flat angles P-C4'-P energy: -15.524
tors. eta vs tors. theta energy: -25.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -260.474380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.474380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.474380 (E_RNA)
where:
Base-Base interactions energy: -161.932
where: short stacking energy: -81.218
Base-Backbone interact. energy: -0.061
local terms energy: -98.481288
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -24.450
flat angles C4'-P-C4' energy: -23.133
flat angles P-C4'-P energy: -12.251
tors. eta vs tors. theta energy: -23.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -270.420831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.420831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.420831 (E_RNA)
where:
Base-Base interactions energy: -178.380
where: short stacking energy: -80.567
Base-Backbone interact. energy: -0.270
local terms energy: -91.770890
where:
bonds (distance) C4'-P energy: -17.679
bonds (distance) P-C4' energy: -25.886
flat angles C4'-P-C4' energy: -18.257
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -19.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -236.808299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.808299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.808299 (E_RNA)
where:
Base-Base interactions energy: -153.230
where: short stacking energy: -72.632
Base-Backbone interact. energy: -0.291
local terms energy: -83.287386
where:
bonds (distance) C4'-P energy: -18.256
bonds (distance) P-C4' energy: -21.092
flat angles C4'-P-C4' energy: -18.805
flat angles P-C4'-P energy: -11.713
tors. eta vs tors. theta energy: -13.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -236.771289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.771289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.771289 (E_RNA)
where:
Base-Base interactions energy: -145.787
where: short stacking energy: -62.390
Base-Backbone interact. energy: -0.899
local terms energy: -90.085555
where:
bonds (distance) C4'-P energy: -21.230
bonds (distance) P-C4' energy: -19.654
flat angles C4'-P-C4' energy: -19.230
flat angles P-C4'-P energy: -10.572
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: 9, replica: 8
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -253.592021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.592021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.592021 (E_RNA)
where:
Base-Base interactions energy: -167.046
where: short stacking energy: -66.118
Base-Backbone interact. energy: -0.217
local terms energy: -86.329091
where:
bonds (distance) C4'-P energy: -16.585
bonds (distance) P-C4' energy: -16.302
flat angles C4'-P-C4' energy: -20.083
flat angles P-C4'-P energy: -16.988
tors. eta vs tors. theta energy: -16.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -113.334155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.334155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.334155 (E_RNA)
where:
Base-Base interactions energy: -35.622
where: short stacking energy: -32.075
Base-Backbone interact. energy: -0.046
local terms energy: -77.666172
where:
bonds (distance) C4'-P energy: -18.844
bonds (distance) P-C4' energy: -19.352
flat angles C4'-P-C4' energy: -22.418
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -7.657
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: 4
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -360.754192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.754192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.754192 (E_RNA)
where:
Base-Base interactions energy: -243.872
where: short stacking energy: -110.802
Base-Backbone interact. energy: -0.435
local terms energy: -116.446746
where:
bonds (distance) C4'-P energy: -23.741
bonds (distance) P-C4' energy: -20.906
flat angles C4'-P-C4' energy: -25.471
flat angles P-C4'-P energy: -17.058
tors. eta vs tors. theta energy: -29.272
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: 2, replica: 5
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -360.516378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.516378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.516378 (E_RNA)
where:
Base-Base interactions energy: -242.508
where: short stacking energy: -103.484
Base-Backbone interact. energy: -0.379
local terms energy: -117.629013
where:
bonds (distance) C4'-P energy: -19.671
bonds (distance) P-C4' energy: -25.698
flat angles C4'-P-C4' energy: -25.749
flat angles P-C4'-P energy: -11.263
tors. eta vs tors. theta energy: -35.249
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: 7
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -333.570169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.570169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.570169 (E_RNA)
where:
Base-Base interactions energy: -223.197
where: short stacking energy: -92.748
Base-Backbone interact. energy: -0.279
local terms energy: -110.093537
where:
bonds (distance) C4'-P energy: -22.008
bonds (distance) P-C4' energy: -23.053
flat angles C4'-P-C4' energy: -21.003
flat angles P-C4'-P energy: -16.320
tors. eta vs tors. theta energy: -27.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -275.695221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.695221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.695221 (E_RNA)
where:
Base-Base interactions energy: -178.993
where: short stacking energy: -67.023
Base-Backbone interact. energy: -0.570
local terms energy: -96.132556
where:
bonds (distance) C4'-P energy: -16.426
bonds (distance) P-C4' energy: -22.072
flat angles C4'-P-C4' energy: -21.977
flat angles P-C4'-P energy: -17.721
tors. eta vs tors. theta energy: -17.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -281.014955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.014955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.014955 (E_RNA)
where:
Base-Base interactions energy: -184.101
where: short stacking energy: -83.588
Base-Backbone interact. energy: -0.190
local terms energy: -96.724721
where:
bonds (distance) C4'-P energy: -22.447
bonds (distance) P-C4' energy: -18.649
flat angles C4'-P-C4' energy: -22.811
flat angles P-C4'-P energy: -15.724
tors. eta vs tors. theta energy: -17.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -260.346575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.346575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.346575 (E_RNA)
where:
Base-Base interactions energy: -156.886
where: short stacking energy: -71.967
Base-Backbone interact. energy: -0.228
local terms energy: -103.232276
where:
bonds (distance) C4'-P energy: -21.731
bonds (distance) P-C4' energy: -22.307
flat angles C4'-P-C4' energy: -26.535
flat angles P-C4'-P energy: -15.492
tors. eta vs tors. theta energy: -17.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -236.122365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.122365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.122365 (E_RNA)
where:
Base-Base interactions energy: -151.511
where: short stacking energy: -66.193
Base-Backbone interact. energy: 2.238
local terms energy: -86.849065
where:
bonds (distance) C4'-P energy: -12.751
bonds (distance) P-C4' energy: -20.630
flat angles C4'-P-C4' energy: -22.208
flat angles P-C4'-P energy: -17.752
tors. eta vs tors. theta energy: -13.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -245.131249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.131249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.131249 (E_RNA)
where:
Base-Base interactions energy: -157.096
where: short stacking energy: -57.222
Base-Backbone interact. energy: -0.218
local terms energy: -87.817812
where:
bonds (distance) C4'-P energy: -20.284
bonds (distance) P-C4' energy: -23.762
flat angles C4'-P-C4' energy: -17.651
flat angles P-C4'-P energy: -12.402
tors. eta vs tors. theta energy: -13.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -223.300773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.300773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.300773 (E_RNA)
where:
Base-Base interactions energy: -142.754
where: short stacking energy: -63.679
Base-Backbone interact. energy: -0.207
local terms energy: -80.339838
where:
bonds (distance) C4'-P energy: -20.870
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -19.450
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -12.129
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: 2
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -114.091207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.091207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.091207 (E_RNA)
where:
Base-Base interactions energy: -48.482
where: short stacking energy: -31.757
Base-Backbone interact. energy: -0.112
local terms energy: -65.497613
where:
bonds (distance) C4'-P energy: -19.680
bonds (distance) P-C4' energy: -23.715
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -7.237
tors. eta vs tors. theta energy: -0.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -369.217075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.217075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.217075 (E_RNA)
where:
Base-Base interactions energy: -252.036
where: short stacking energy: -104.901
Base-Backbone interact. energy: -0.031
local terms energy: -117.149937
where:
bonds (distance) C4'-P energy: -19.426
bonds (distance) P-C4' energy: -25.505
flat angles C4'-P-C4' energy: -25.236
flat angles P-C4'-P energy: -13.427
tors. eta vs tors. theta energy: -33.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -360.800078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.800078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.800078 (E_RNA)
where:
Base-Base interactions energy: -237.615
where: short stacking energy: -107.525
Base-Backbone interact. energy: -0.887
local terms energy: -122.297535
where:
bonds (distance) C4'-P energy: -21.625
bonds (distance) P-C4' energy: -22.536
flat angles C4'-P-C4' energy: -26.169
flat angles P-C4'-P energy: -17.820
tors. eta vs tors. theta energy: -34.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -335.036018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.036018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.036018 (E_RNA)
where:
Base-Base interactions energy: -218.650
where: short stacking energy: -94.005
Base-Backbone interact. energy: -0.524
local terms energy: -115.862106
where:
bonds (distance) C4'-P energy: -26.402
bonds (distance) P-C4' energy: -19.325
flat angles C4'-P-C4' energy: -23.326
flat angles P-C4'-P energy: -19.572
tors. eta vs tors. theta energy: -27.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -283.092999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.092999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.092999 (E_RNA)
where:
Base-Base interactions energy: -191.546
where: short stacking energy: -83.821
Base-Backbone interact. energy: -0.005
local terms energy: -91.541614
where:
bonds (distance) C4'-P energy: -24.458
bonds (distance) P-C4' energy: -19.853
flat angles C4'-P-C4' energy: -17.756
flat angles P-C4'-P energy: -11.701
tors. eta vs tors. theta energy: -17.772
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: 396
Temperature: 1.100000
Total energy: -270.299534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.299534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.299534 (E_RNA)
where:
Base-Base interactions energy: -172.825
where: short stacking energy: -81.045
Base-Backbone interact. energy: -0.473
local terms energy: -97.001674
where:
bonds (distance) C4'-P energy: -19.829
bonds (distance) P-C4' energy: -20.819
flat angles C4'-P-C4' energy: -20.245
flat angles P-C4'-P energy: -13.628
tors. eta vs tors. theta energy: -22.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -281.554800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.554800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.554800 (E_RNA)
where:
Base-Base interactions energy: -185.129
where: short stacking energy: -77.148
Base-Backbone interact. energy: -0.209
local terms energy: -96.216019
where:
bonds (distance) C4'-P energy: -19.021
bonds (distance) P-C4' energy: -20.785
flat angles C4'-P-C4' energy: -23.226
flat angles P-C4'-P energy: -11.169
tors. eta vs tors. theta energy: -22.015
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: 8
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -211.466586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.466586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.466586 (E_RNA)
where:
Base-Base interactions energy: -116.705
where: short stacking energy: -68.800
Base-Backbone interact. energy: -0.075
local terms energy: -94.687009
where:
bonds (distance) C4'-P energy: -25.630
bonds (distance) P-C4' energy: -21.620
flat angles C4'-P-C4' energy: -21.094
flat angles P-C4'-P energy: -10.463
tors. eta vs tors. theta energy: -15.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -245.776164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.776164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.776164 (E_RNA)
where:
Base-Base interactions energy: -154.248
where: short stacking energy: -69.449
Base-Backbone interact. energy: -0.563
local terms energy: -90.964581
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -21.093
flat angles C4'-P-C4' energy: -23.284
flat angles P-C4'-P energy: -7.320
tors. eta vs tors. theta energy: -22.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -236.486475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.486475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.486475 (E_RNA)
where:
Base-Base interactions energy: -148.750
where: short stacking energy: -57.190
Base-Backbone interact. energy: -0.928
local terms energy: -86.808114
where:
bonds (distance) C4'-P energy: -19.758
bonds (distance) P-C4' energy: -20.188
flat angles C4'-P-C4' energy: -16.001
flat angles P-C4'-P energy: -16.781
tors. eta vs tors. theta energy: -14.081
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: 10, replica: 2
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -111.790654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.790654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.790654 (E_RNA)
where:
Base-Base interactions energy: -41.984
where: short stacking energy: -26.877
Base-Backbone interact. energy: -0.033
local terms energy: -69.774462
where:
bonds (distance) C4'-P energy: -24.309
bonds (distance) P-C4' energy: -20.012
flat angles C4'-P-C4' energy: -14.679
flat angles P-C4'-P energy: -12.645
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: 5
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -373.120068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.120068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.120068 (E_RNA)
where:
Base-Base interactions energy: -255.741
where: short stacking energy: -108.017
Base-Backbone interact. energy: -0.536
local terms energy: -116.842769
where:
bonds (distance) C4'-P energy: -18.029
bonds (distance) P-C4' energy: -22.177
flat angles C4'-P-C4' energy: -26.244
flat angles P-C4'-P energy: -14.356
tors. eta vs tors. theta energy: -36.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -352.736029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.736029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.736029 (E_RNA)
where:
Base-Base interactions energy: -231.412
where: short stacking energy: -97.220
Base-Backbone interact. energy: -1.377
local terms energy: -119.946794
where:
bonds (distance) C4'-P energy: -22.318
bonds (distance) P-C4' energy: -25.365
flat angles C4'-P-C4' energy: -24.924
flat angles P-C4'-P energy: -18.101
tors. eta vs tors. theta energy: -29.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -355.926201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.926201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.926201 (E_RNA)
where:
Base-Base interactions energy: -242.182
where: short stacking energy: -99.949
Base-Backbone interact. energy: -0.779
local terms energy: -112.965200
where:
bonds (distance) C4'-P energy: -18.328
bonds (distance) P-C4' energy: -23.725
flat angles C4'-P-C4' energy: -26.147
flat angles P-C4'-P energy: -16.529
tors. eta vs tors. theta energy: -28.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -288.255425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.255425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.255425 (E_RNA)
where:
Base-Base interactions energy: -184.224
where: short stacking energy: -74.766
Base-Backbone interact. energy: -0.443
local terms energy: -103.587892
where:
bonds (distance) C4'-P energy: -25.115
bonds (distance) P-C4' energy: -22.308
flat angles C4'-P-C4' energy: -19.436
flat angles P-C4'-P energy: -16.041
tors. eta vs tors. theta energy: -20.687
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: 6
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -275.962439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.962439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.962439 (E_RNA)
where:
Base-Base interactions energy: -171.222
where: short stacking energy: -82.994
Base-Backbone interact. energy: -0.917
local terms energy: -103.823255
where:
bonds (distance) C4'-P energy: -19.666
bonds (distance) P-C4' energy: -21.760
flat angles C4'-P-C4' energy: -21.715
flat angles P-C4'-P energy: -13.862
tors. eta vs tors. theta energy: -26.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -278.908725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.908725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.908725 (E_RNA)
where:
Base-Base interactions energy: -187.101
where: short stacking energy: -75.125
Base-Backbone interact. energy: -0.679
local terms energy: -91.128135
where:
bonds (distance) C4'-P energy: -20.396
bonds (distance) P-C4' energy: -16.733
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -12.322
tors. eta vs tors. theta energy: -27.042
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: 7, replica: 8
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -223.240432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.240432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.240432 (E_RNA)
where:
Base-Base interactions energy: -134.902
where: short stacking energy: -55.180
Base-Backbone interact. energy: -1.359
local terms energy: -86.980119
where:
bonds (distance) C4'-P energy: -18.360
bonds (distance) P-C4' energy: -25.394
flat angles C4'-P-C4' energy: -24.258
flat angles P-C4'-P energy: -13.182
tors. eta vs tors. theta energy: -5.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -258.668864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.668864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.668864 (E_RNA)
where:
Base-Base interactions energy: -159.040
where: short stacking energy: -69.560
Base-Backbone interact. energy: -0.394
local terms energy: -99.234860
where:
bonds (distance) C4'-P energy: -21.162
bonds (distance) P-C4' energy: -25.400
flat angles C4'-P-C4' energy: -19.951
flat angles P-C4'-P energy: -16.061
tors. eta vs tors. theta energy: -16.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -248.564891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.564891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.564891 (E_RNA)
where:
Base-Base interactions energy: -160.506
where: short stacking energy: -78.877
Base-Backbone interact. energy: -0.237
local terms energy: -87.821282
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -23.177
flat angles P-C4'-P energy: -17.266
tors. eta vs tors. theta energy: -15.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -112.985874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.985874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.985874 (E_RNA)
where:
Base-Base interactions energy: -33.797
where: short stacking energy: -33.797
Base-Backbone interact. energy: -0.179
local terms energy: -79.009287
where:
bonds (distance) C4'-P energy: -24.723
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -18.003
flat angles P-C4'-P energy: -12.827
tors. eta vs tors. theta energy: -8.052
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: 5
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -369.698609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.698609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.698609 (E_RNA)
where:
Base-Base interactions energy: -253.851
where: short stacking energy: -118.522
Base-Backbone interact. energy: -0.152
local terms energy: -115.695979
where:
bonds (distance) C4'-P energy: -20.938
bonds (distance) P-C4' energy: -23.682
flat angles C4'-P-C4' energy: -21.338
flat angles P-C4'-P energy: -18.546
tors. eta vs tors. theta energy: -31.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -345.227382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.227382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.227382 (E_RNA)
where:
Base-Base interactions energy: -231.234
where: short stacking energy: -97.032
Base-Backbone interact. energy: -0.406
local terms energy: -113.587154
where:
bonds (distance) C4'-P energy: -22.656
bonds (distance) P-C4' energy: -23.266
flat angles C4'-P-C4' energy: -25.604
flat angles P-C4'-P energy: -16.952
tors. eta vs tors. theta energy: -25.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -348.792392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.792392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.792392 (E_RNA)
where:
Base-Base interactions energy: -234.730
where: short stacking energy: -96.201
Base-Backbone interact. energy: -0.402
local terms energy: -113.661097
where:
bonds (distance) C4'-P energy: -24.797
bonds (distance) P-C4' energy: -11.592
flat angles C4'-P-C4' energy: -27.591
flat angles P-C4'-P energy: -17.932
tors. eta vs tors. theta energy: -31.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -297.827384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.827384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.827384 (E_RNA)
where:
Base-Base interactions energy: -197.615
where: short stacking energy: -86.296
Base-Backbone interact. energy: -0.177
local terms energy: -100.035442
where:
bonds (distance) C4'-P energy: -21.666
bonds (distance) P-C4' energy: -21.643
flat angles C4'-P-C4' energy: -21.486
flat angles P-C4'-P energy: -10.652
tors. eta vs tors. theta energy: -24.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -282.002793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.002793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.002793 (E_RNA)
where:
Base-Base interactions energy: -174.135
where: short stacking energy: -80.727
Base-Backbone interact. energy: -0.096
local terms energy: -107.772140
where:
bonds (distance) C4'-P energy: -23.304
bonds (distance) P-C4' energy: -21.050
flat angles C4'-P-C4' energy: -21.500
flat angles P-C4'-P energy: -16.080
tors. eta vs tors. theta energy: -25.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -283.163976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.163976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.163976 (E_RNA)
where:
Base-Base interactions energy: -195.946
where: short stacking energy: -91.796
Base-Backbone interact. energy: 0.819
local terms energy: -88.036776
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -16.355
flat angles C4'-P-C4' energy: -23.316
flat angles P-C4'-P energy: -12.015
tors. eta vs tors. theta energy: -20.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -254.126736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.126736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.126736 (E_RNA)
where:
Base-Base interactions energy: -162.214
where: short stacking energy: -72.252
Base-Backbone interact. energy: -0.179
local terms energy: -91.733350
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -21.997
flat angles C4'-P-C4' energy: -23.338
flat angles P-C4'-P energy: -12.236
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: 8, replica: 8
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -232.366705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.366705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.366705 (E_RNA)
where:
Base-Base interactions energy: -161.281
where: short stacking energy: -70.676
Base-Backbone interact. energy: -0.505
local terms energy: -70.580947
where:
bonds (distance) C4'-P energy: -12.696
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -12.493
flat angles P-C4'-P energy: -12.399
tors. eta vs tors. theta energy: -14.114
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: 398
Temperature: 1.300000
Total energy: -217.571886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.571886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.571886 (E_RNA)
where:
Base-Base interactions energy: -141.064
where: short stacking energy: -52.290
Base-Backbone interact. energy: -0.439
local terms energy: -76.069241
where:
bonds (distance) C4'-P energy: -17.608
bonds (distance) P-C4' energy: -18.812
flat angles C4'-P-C4' energy: -19.453
flat angles P-C4'-P energy: -13.113
tors. eta vs tors. theta energy: -7.084
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: 2
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -104.053111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.053111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.053111 (E_RNA)
where:
Base-Base interactions energy: -26.998
where: short stacking energy: -25.275
Base-Backbone interact. energy: -0.463
local terms energy: -76.591844
where:
bonds (distance) C4'-P energy: -25.336
bonds (distance) P-C4' energy: -21.372
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -4.827
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: 5
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -364.121971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.121971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.121971 (E_RNA)
where:
Base-Base interactions energy: -236.596
where: short stacking energy: -96.580
Base-Backbone interact. energy: -0.581
local terms energy: -126.945028
where:
bonds (distance) C4'-P energy: -22.102
bonds (distance) P-C4' energy: -24.581
flat angles C4'-P-C4' energy: -25.711
flat angles P-C4'-P energy: -19.209
tors. eta vs tors. theta energy: -35.342
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: 4
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -342.542572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.542572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.542572 (E_RNA)
where:
Base-Base interactions energy: -240.030
where: short stacking energy: -102.397
Base-Backbone interact. energy: -0.352
local terms energy: -102.161311
where:
bonds (distance) C4'-P energy: -13.993
bonds (distance) P-C4' energy: -25.881
flat angles C4'-P-C4' energy: -23.268
flat angles P-C4'-P energy: -15.144
tors. eta vs tors. theta energy: -23.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -346.330918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.330918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.330918 (E_RNA)
where:
Base-Base interactions energy: -232.163
where: short stacking energy: -106.847
Base-Backbone interact. energy: -0.253
local terms energy: -113.914838
where:
bonds (distance) C4'-P energy: -21.862
bonds (distance) P-C4' energy: -27.084
flat angles C4'-P-C4' energy: -23.639
flat angles P-C4'-P energy: -11.747
tors. eta vs tors. theta energy: -29.583
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: 399
Temperature: 1.050000
Total energy: -308.591240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.591240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.591240 (E_RNA)
where:
Base-Base interactions energy: -223.019
where: short stacking energy: -92.218
Base-Backbone interact. energy: -0.187
local terms energy: -85.384574
where:
bonds (distance) C4'-P energy: -9.765
bonds (distance) P-C4' energy: -16.784
flat angles C4'-P-C4' energy: -20.832
flat angles P-C4'-P energy: -15.476
tors. eta vs tors. theta energy: -22.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -277.495528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.495528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.495528 (E_RNA)
where:
Base-Base interactions energy: -174.777
where: short stacking energy: -87.997
Base-Backbone interact. energy: -0.226
local terms energy: -102.492839
where:
bonds (distance) C4'-P energy: -20.288
bonds (distance) P-C4' energy: -25.068
flat angles C4'-P-C4' energy: -22.791
flat angles P-C4'-P energy: -11.559
tors. eta vs tors. theta energy: -22.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -254.603216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.603216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.603216 (E_RNA)
where:
Base-Base interactions energy: -165.347
where: short stacking energy: -76.282
Base-Backbone interact. energy: -0.305
local terms energy: -88.951001
where:
bonds (distance) C4'-P energy: -23.427
bonds (distance) P-C4' energy: -19.553
flat angles C4'-P-C4' energy: -21.179
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: -13.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -263.635904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.635904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.635904 (E_RNA)
where:
Base-Base interactions energy: -172.609
where: short stacking energy: -72.185
Base-Backbone interact. energy: -0.758
local terms energy: -90.268369
where:
bonds (distance) C4'-P energy: -20.561
bonds (distance) P-C4' energy: -19.953
flat angles C4'-P-C4' energy: -22.554
flat angles P-C4'-P energy: -10.051
tors. eta vs tors. theta energy: -17.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -242.137773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.137773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.137773 (E_RNA)
where:
Base-Base interactions energy: -165.129
where: short stacking energy: -73.742
Base-Backbone interact. energy: 1.363
local terms energy: -78.372150
where:
bonds (distance) C4'-P energy: -18.586
bonds (distance) P-C4' energy: -19.379
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -14.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -215.885564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.885564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.885564 (E_RNA)
where:
Base-Base interactions energy: -138.184
where: short stacking energy: -62.706
Base-Backbone interact. energy: -0.152
local terms energy: -77.549574
where:
bonds (distance) C4'-P energy: -17.465
bonds (distance) P-C4' energy: -22.067
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -12.024
tors. eta vs tors. theta energy: -10.883
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: 2
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -120.114743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.114743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.114743 (E_RNA)
where:
Base-Base interactions energy: -51.583
where: short stacking energy: -52.083
Base-Backbone interact. energy: 1.733
local terms energy: -70.265311
where:
bonds (distance) C4'-P energy: -13.124
bonds (distance) P-C4' energy: -19.506
flat angles C4'-P-C4' energy: -19.063
flat angles P-C4'-P energy: -10.856
tors. eta vs tors. theta energy: -7.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -357.780292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.780292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.780292 (E_RNA)
where:
Base-Base interactions energy: -243.799
where: short stacking energy: -92.277
Base-Backbone interact. energy: -0.303
local terms energy: -113.678627
where:
bonds (distance) C4'-P energy: -25.115
bonds (distance) P-C4' energy: -24.179
flat angles C4'-P-C4' energy: -22.143
flat angles P-C4'-P energy: -16.145
tors. eta vs tors. theta energy: -26.096
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: 2, replica: 5
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -372.304404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.304404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.304404 (E_RNA)
where:
Base-Base interactions energy: -254.360
where: short stacking energy: -104.936
Base-Backbone interact. energy: -0.589
local terms energy: -117.354912
where:
bonds (distance) C4'-P energy: -21.468
bonds (distance) P-C4' energy: -23.306
flat angles C4'-P-C4' energy: -24.483
flat angles P-C4'-P energy: -14.705
tors. eta vs tors. theta energy: -33.393
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: 7
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -337.560001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.560001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.560001 (E_RNA)
where:
Base-Base interactions energy: -230.379
where: short stacking energy: -102.547
Base-Backbone interact. energy: 0.916
local terms energy: -108.097776
where:
bonds (distance) C4'-P energy: -24.205
bonds (distance) P-C4' energy: -18.813
flat angles C4'-P-C4' energy: -23.896
flat angles P-C4'-P energy: -14.903
tors. eta vs tors. theta energy: -26.280
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: 400
Temperature: 1.050000
Total energy: -300.758983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.758983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.758983 (E_RNA)
where:
Base-Base interactions energy: -195.137
where: short stacking energy: -77.845
Base-Backbone interact. energy: -0.060
local terms energy: -105.561418
where:
bonds (distance) C4'-P energy: -21.579
bonds (distance) P-C4' energy: -24.781
flat angles C4'-P-C4' energy: -23.754
flat angles P-C4'-P energy: -13.743
tors. eta vs tors. theta energy: -21.704
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: 1
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -275.921884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.921884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.921884 (E_RNA)
where:
Base-Base interactions energy: -171.903
where: short stacking energy: -79.031
Base-Backbone interact. energy: -0.270
local terms energy: -103.749018
where:
bonds (distance) C4'-P energy: -24.913
bonds (distance) P-C4' energy: -19.975
flat angles C4'-P-C4' energy: -23.662
flat angles P-C4'-P energy: -14.181
tors. eta vs tors. theta energy: -21.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -253.108556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.108556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.108556 (E_RNA)
where:
Base-Base interactions energy: -159.795
where: short stacking energy: -72.403
Base-Backbone interact. energy: -0.211
local terms energy: -93.102667
where:
bonds (distance) C4'-P energy: -22.358
bonds (distance) P-C4' energy: -18.625
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -14.808
tors. eta vs tors. theta energy: -21.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -252.899795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.899795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.899795 (E_RNA)
where:
Base-Base interactions energy: -175.509
where: short stacking energy: -75.730
Base-Backbone interact. energy: -0.726
local terms energy: -76.664678
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -17.603
flat angles C4'-P-C4' energy: -20.677
flat angles P-C4'-P energy: -5.839
tors. eta vs tors. theta energy: -19.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -243.188734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.188734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.188734 (E_RNA)
where:
Base-Base interactions energy: -153.150
where: short stacking energy: -65.358
Base-Backbone interact. energy: -2.142
local terms energy: -87.896568
where:
bonds (distance) C4'-P energy: -25.261
bonds (distance) P-C4' energy: -19.894
flat angles C4'-P-C4' energy: -21.713
flat angles P-C4'-P energy: -7.641
tors. eta vs tors. theta energy: -13.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -198.011871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.011871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.011871 (E_RNA)
where:
Base-Base interactions energy: -114.007
where: short stacking energy: -62.715
Base-Backbone interact. energy: -0.257
local terms energy: -83.747915
where:
bonds (distance) C4'-P energy: -17.238
bonds (distance) P-C4' energy: -27.964
flat angles C4'-P-C4' energy: -19.737
flat angles P-C4'-P energy: -10.685
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: 10, replica: 2
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -106.415602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.415602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.415602 (E_RNA)
where:
Base-Base interactions energy: -38.755
where: short stacking energy: -34.741
Base-Backbone interact. energy: -0.295
local terms energy: -67.365556
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -23.004
flat angles C4'-P-C4' energy: -17.221
flat angles P-C4'-P energy: -8.313
tors. eta vs tors. theta energy: -2.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -356.546003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.546003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.546003 (E_RNA)
where:
Base-Base interactions energy: -247.475
where: short stacking energy: -99.009
Base-Backbone interact. energy: -0.152
local terms energy: -108.918586
where:
bonds (distance) C4'-P energy: -21.726
bonds (distance) P-C4' energy: -25.726
flat angles C4'-P-C4' energy: -22.513
flat angles P-C4'-P energy: -11.202
tors. eta vs tors. theta energy: -27.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -334.847994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.847994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.847994 (E_RNA)
where:
Base-Base interactions energy: -227.601
where: short stacking energy: -95.247
Base-Backbone interact. energy: -0.208
local terms energy: -107.038839
where:
bonds (distance) C4'-P energy: -18.748
bonds (distance) P-C4' energy: -26.777
flat angles C4'-P-C4' energy: -23.943
flat angles P-C4'-P energy: -12.399
tors. eta vs tors. theta energy: -25.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -357.356757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.356757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.356757 (E_RNA)
where:
Base-Base interactions energy: -247.188
where: short stacking energy: -112.638
Base-Backbone interact. energy: 1.127
local terms energy: -111.295627
where:
bonds (distance) C4'-P energy: -17.192
bonds (distance) P-C4' energy: -20.555
flat angles C4'-P-C4' energy: -24.753
flat angles P-C4'-P energy: -16.318
tors. eta vs tors. theta energy: -32.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -286.338276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.338276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.338276 (E_RNA)
where:
Base-Base interactions energy: -192.842
where: short stacking energy: -93.643
Base-Backbone interact. energy: -0.245
local terms energy: -93.251301
where:
bonds (distance) C4'-P energy: -17.933
bonds (distance) P-C4' energy: -20.782
flat angles C4'-P-C4' energy: -22.476
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: -22.214
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: 6
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -285.061398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.061398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.061398 (E_RNA)
where:
Base-Base interactions energy: -183.935
where: short stacking energy: -89.730
Base-Backbone interact. energy: -0.072
local terms energy: -101.054171
where:
bonds (distance) C4'-P energy: -19.515
bonds (distance) P-C4' energy: -22.528
flat angles C4'-P-C4' energy: -22.383
flat angles P-C4'-P energy: -13.859
tors. eta vs tors. theta energy: -22.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -216.392454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.392454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.392454 (E_RNA)
where:
Base-Base interactions energy: -131.047
where: short stacking energy: -55.622
Base-Backbone interact. energy: -0.707
local terms energy: -84.638820
where:
bonds (distance) C4'-P energy: -22.691
bonds (distance) P-C4' energy: -24.266
flat angles C4'-P-C4' energy: -15.226
flat angles P-C4'-P energy: -12.278
tors. eta vs tors. theta energy: -10.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -260.542424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.542424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.542424 (E_RNA)
where:
Base-Base interactions energy: -158.936
where: short stacking energy: -76.821
Base-Backbone interact. energy: -0.140
local terms energy: -101.466025
where:
bonds (distance) C4'-P energy: -20.353
bonds (distance) P-C4' energy: -23.335
flat angles C4'-P-C4' energy: -19.171
flat angles P-C4'-P energy: -18.733
tors. eta vs tors. theta energy: -19.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -206.548600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.548600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.548600 (E_RNA)
where:
Base-Base interactions energy: -130.321
where: short stacking energy: -65.263
Base-Backbone interact. energy: -0.271
local terms energy: -75.956896
where:
bonds (distance) C4'-P energy: -19.086
bonds (distance) P-C4' energy: -22.820
flat angles C4'-P-C4' energy: -10.041
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: -11.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -227.102718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.102718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.102718 (E_RNA)
where:
Base-Base interactions energy: -135.897
where: short stacking energy: -66.137
Base-Backbone interact. energy: 0.705
local terms energy: -91.910549
where:
bonds (distance) C4'-P energy: -21.887
bonds (distance) P-C4' energy: -16.134
flat angles C4'-P-C4' energy: -22.248
flat angles P-C4'-P energy: -17.173
tors. eta vs tors. theta energy: -14.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -133.062389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.062389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.062389 (E_RNA)
where:
Base-Base interactions energy: -66.541
where: short stacking energy: -47.623
Base-Backbone interact. energy: -0.616
local terms energy: -65.905194
where:
bonds (distance) C4'-P energy: -18.741
bonds (distance) P-C4' energy: -21.889
flat angles C4'-P-C4' energy: -13.680
flat angles P-C4'-P energy: -6.248
tors. eta vs tors. theta energy: -5.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -348.309778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.309778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.309778 (E_RNA)
where:
Base-Base interactions energy: -237.738
where: short stacking energy: -98.665
Base-Backbone interact. energy: -0.801
local terms energy: -109.770798
where:
bonds (distance) C4'-P energy: -15.483
bonds (distance) P-C4' energy: -20.350
flat angles C4'-P-C4' energy: -25.147
flat angles P-C4'-P energy: -19.639
tors. eta vs tors. theta energy: -29.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -350.183561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.183561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.183561 (E_RNA)
where:
Base-Base interactions energy: -237.552
where: short stacking energy: -96.920
Base-Backbone interact. energy: 1.499
local terms energy: -114.130595
where:
bonds (distance) C4'-P energy: -24.873
bonds (distance) P-C4' energy: -23.624
flat angles C4'-P-C4' energy: -20.482
flat angles P-C4'-P energy: -18.439
tors. eta vs tors. theta energy: -26.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -361.259854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.259854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.259854 (E_RNA)
where:
Base-Base interactions energy: -244.836
where: short stacking energy: -109.113
Base-Backbone interact. energy: 0.311
local terms energy: -116.734517
where:
bonds (distance) C4'-P energy: -20.534
bonds (distance) P-C4' energy: -22.538
flat angles C4'-P-C4' energy: -26.198
flat angles P-C4'-P energy: -16.527
tors. eta vs tors. theta energy: -30.938
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: 1
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -291.988128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.988128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.988128 (E_RNA)
where:
Base-Base interactions energy: -185.672
where: short stacking energy: -97.417
Base-Backbone interact. energy: -0.138
local terms energy: -106.178514
where:
bonds (distance) C4'-P energy: -19.983
bonds (distance) P-C4' energy: -23.276
flat angles C4'-P-C4' energy: -21.735
flat angles P-C4'-P energy: -14.268
tors. eta vs tors. theta energy: -26.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -229.088858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.088858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.088858 (E_RNA)
where:
Base-Base interactions energy: -130.750
where: short stacking energy: -69.724
Base-Backbone interact. energy: 0.911
local terms energy: -99.248995
where:
bonds (distance) C4'-P energy: -21.066
bonds (distance) P-C4' energy: -22.849
flat angles C4'-P-C4' energy: -23.848
flat angles P-C4'-P energy: -12.425
tors. eta vs tors. theta energy: -19.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -285.827179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.827179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.827179 (E_RNA)
where:
Base-Base interactions energy: -188.331
where: short stacking energy: -90.990
Base-Backbone interact. energy: 1.022
local terms energy: -98.517745
where:
bonds (distance) C4'-P energy: -15.541
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -22.571
flat angles P-C4'-P energy: -17.319
tors. eta vs tors. theta energy: -26.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -247.663817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.663817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.663817 (E_RNA)
where:
Base-Base interactions energy: -155.162
where: short stacking energy: -61.452
Base-Backbone interact. energy: -0.822
local terms energy: -91.679752
where:
bonds (distance) C4'-P energy: -21.690
bonds (distance) P-C4' energy: -23.453
flat angles C4'-P-C4' energy: -16.596
flat angles P-C4'-P energy: -12.783
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: 8, replica: 8
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -201.655356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.655356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.655356 (E_RNA)
where:
Base-Base interactions energy: -123.941
where: short stacking energy: -52.625
Base-Backbone interact. energy: 0.864
local terms energy: -78.578854
where:
bonds (distance) C4'-P energy: -24.188
bonds (distance) P-C4' energy: -20.044
flat angles C4'-P-C4' energy: -19.503
flat angles P-C4'-P energy: -13.337
tors. eta vs tors. theta energy: -1.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -237.495426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.495426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.495426 (E_RNA)
where:
Base-Base interactions energy: -149.930
where: short stacking energy: -64.763
Base-Backbone interact. energy: -0.996
local terms energy: -86.569682
where:
bonds (distance) C4'-P energy: -17.168
bonds (distance) P-C4' energy: -20.489
flat angles C4'-P-C4' energy: -20.654
flat angles P-C4'-P energy: -13.267
tors. eta vs tors. theta energy: -14.992
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: 10, replica: 2
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -117.606739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.606739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.606739 (E_RNA)
where:
Base-Base interactions energy: -42.411
where: short stacking energy: -30.574
Base-Backbone interact. energy: -1.028
local terms energy: -74.168047
where:
bonds (distance) C4'-P energy: -22.735
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -22.208
flat angles P-C4'-P energy: -12.135
tors. eta vs tors. theta energy: -0.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -356.808573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.808573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.808573 (E_RNA)
where:
Base-Base interactions energy: -245.062
where: short stacking energy: -104.980
Base-Backbone interact. energy: -0.107
local terms energy: -111.639289
where:
bonds (distance) C4'-P energy: -21.026
bonds (distance) P-C4' energy: -27.241
flat angles C4'-P-C4' energy: -17.718
flat angles P-C4'-P energy: -12.770
tors. eta vs tors. theta energy: -32.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -361.188716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.188716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.188716 (E_RNA)
where:
Base-Base interactions energy: -247.794
where: short stacking energy: -107.828
Base-Backbone interact. energy: -0.006
local terms energy: -113.389008
where:
bonds (distance) C4'-P energy: -18.921
bonds (distance) P-C4' energy: -24.484
flat angles C4'-P-C4' energy: -23.323
flat angles P-C4'-P energy: -13.199
tors. eta vs tors. theta energy: -33.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -333.978513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.978513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.978513 (E_RNA)
where:
Base-Base interactions energy: -212.591
where: short stacking energy: -91.966
Base-Backbone interact. energy: 0.488
local terms energy: -121.875621
where:
bonds (distance) C4'-P energy: -24.417
bonds (distance) P-C4' energy: -21.477
flat angles C4'-P-C4' energy: -26.087
flat angles P-C4'-P energy: -20.786
tors. eta vs tors. theta energy: -29.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -288.455859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.455859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.455859 (E_RNA)
where:
Base-Base interactions energy: -187.522
where: short stacking energy: -81.452
Base-Backbone interact. energy: -0.507
local terms energy: -100.425937
where:
bonds (distance) C4'-P energy: -19.054
bonds (distance) P-C4' energy: -22.349
flat angles C4'-P-C4' energy: -19.539
flat angles P-C4'-P energy: -16.812
tors. eta vs tors. theta energy: -22.671
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: 403
Temperature: 1.100000
Total energy: -234.783428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.783428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.783428 (E_RNA)
where:
Base-Base interactions energy: -138.105
where: short stacking energy: -73.065
Base-Backbone interact. energy: -0.472
local terms energy: -96.207072
where:
bonds (distance) C4'-P energy: -17.342
bonds (distance) P-C4' energy: -23.117
flat angles C4'-P-C4' energy: -23.537
flat angles P-C4'-P energy: -13.696
tors. eta vs tors. theta energy: -18.514
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: 6
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -285.621407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.621407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.621407 (E_RNA)
where:
Base-Base interactions energy: -200.782
where: short stacking energy: -71.872
Base-Backbone interact. energy: 0.078
local terms energy: -84.917940
where:
bonds (distance) C4'-P energy: -15.831
bonds (distance) P-C4' energy: -19.057
flat angles C4'-P-C4' energy: -19.169
flat angles P-C4'-P energy: -14.606
tors. eta vs tors. theta energy: -16.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -251.200125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.200125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.200125 (E_RNA)
where:
Base-Base interactions energy: -154.159
where: short stacking energy: -74.952
Base-Backbone interact. energy: -0.129
local terms energy: -96.912142
where:
bonds (distance) C4'-P energy: -20.069
bonds (distance) P-C4' energy: -22.109
flat angles C4'-P-C4' energy: -20.704
flat angles P-C4'-P energy: -16.629
tors. eta vs tors. theta energy: -17.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -219.680047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.680047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.680047 (E_RNA)
where:
Base-Base interactions energy: -142.137
where: short stacking energy: -58.375
Base-Backbone interact. energy: -0.094
local terms energy: -77.449556
where:
bonds (distance) C4'-P energy: -18.077
bonds (distance) P-C4' energy: -19.576
flat angles C4'-P-C4' energy: -17.964
flat angles P-C4'-P energy: -14.677
tors. eta vs tors. theta energy: -7.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -209.375819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.375819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.375819 (E_RNA)
where:
Base-Base interactions energy: -122.926
where: short stacking energy: -56.883
Base-Backbone interact. energy: -0.562
local terms energy: -85.887556
where:
bonds (distance) C4'-P energy: -24.724
bonds (distance) P-C4' energy: -16.982
flat angles C4'-P-C4' energy: -20.235
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: -13.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -116.959411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.959411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.959411 (E_RNA)
where:
Base-Base interactions energy: -41.980
where: short stacking energy: -39.026
Base-Backbone interact. energy: -0.198
local terms energy: -74.780837
where:
bonds (distance) C4'-P energy: -17.847
bonds (distance) P-C4' energy: -18.778
flat angles C4'-P-C4' energy: -19.422
flat angles P-C4'-P energy: -12.206
tors. eta vs tors. theta energy: -6.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -379.515802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.515802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.515802 (E_RNA)
where:
Base-Base interactions energy: -257.188
where: short stacking energy: -112.680
Base-Backbone interact. energy: -0.011
local terms energy: -122.316920
where:
bonds (distance) C4'-P energy: -21.299
bonds (distance) P-C4' energy: -25.162
flat angles C4'-P-C4' energy: -24.738
flat angles P-C4'-P energy: -19.038
tors. eta vs tors. theta energy: -32.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -353.006012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.006012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.006012 (E_RNA)
where:
Base-Base interactions energy: -235.717
where: short stacking energy: -107.714
Base-Backbone interact. energy: -0.111
local terms energy: -117.177892
where:
bonds (distance) C4'-P energy: -22.908
bonds (distance) P-C4' energy: -24.326
flat angles C4'-P-C4' energy: -24.317
flat angles P-C4'-P energy: -16.802
tors. eta vs tors. theta energy: -28.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -328.769106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.769106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.769106 (E_RNA)
where:
Base-Base interactions energy: -214.364
where: short stacking energy: -94.912
Base-Backbone interact. energy: 0.130
local terms energy: -114.534815
where:
bonds (distance) C4'-P energy: -23.500
bonds (distance) P-C4' energy: -25.131
flat angles C4'-P-C4' energy: -24.862
flat angles P-C4'-P energy: -16.028
tors. eta vs tors. theta energy: -25.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -284.342772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.342772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.342772 (E_RNA)
where:
Base-Base interactions energy: -174.262
where: short stacking energy: -86.571
Base-Backbone interact. energy: -0.132
local terms energy: -109.949030
where:
bonds (distance) C4'-P energy: -23.013
bonds (distance) P-C4' energy: -24.190
flat angles C4'-P-C4' energy: -24.393
flat angles P-C4'-P energy: -14.120
tors. eta vs tors. theta energy: -24.232
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: 6
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -279.140601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.140601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.140601 (E_RNA)
where:
Base-Base interactions energy: -185.056
where: short stacking energy: -78.276
Base-Backbone interact. energy: -0.459
local terms energy: -93.625844
where:
bonds (distance) C4'-P energy: -20.629
bonds (distance) P-C4' energy: -18.506
flat angles C4'-P-C4' energy: -22.831
flat angles P-C4'-P energy: -12.874
tors. eta vs tors. theta energy: -18.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -212.730709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.730709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.730709 (E_RNA)
where:
Base-Base interactions energy: -116.822
where: short stacking energy: -71.405
Base-Backbone interact. energy: -0.450
local terms energy: -95.459053
where:
bonds (distance) C4'-P energy: -17.683
bonds (distance) P-C4' energy: -24.012
flat angles C4'-P-C4' energy: -21.650
flat angles P-C4'-P energy: -15.860
tors. eta vs tors. theta energy: -16.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -245.163832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.163832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.163832 (E_RNA)
where:
Base-Base interactions energy: -162.166
where: short stacking energy: -63.381
Base-Backbone interact. energy: -0.277
local terms energy: -82.720675
where:
bonds (distance) C4'-P energy: -15.425
bonds (distance) P-C4' energy: -20.073
flat angles C4'-P-C4' energy: -17.889
flat angles P-C4'-P energy: -14.455
tors. eta vs tors. theta energy: -14.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -239.089961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.089961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.089961 (E_RNA)
where:
Base-Base interactions energy: -143.148
where: short stacking energy: -64.779
Base-Backbone interact. energy: -0.449
local terms energy: -95.493056
where:
bonds (distance) C4'-P energy: -18.393
bonds (distance) P-C4' energy: -24.581
flat angles C4'-P-C4' energy: -24.744
flat angles P-C4'-P energy: -12.167
tors. eta vs tors. theta energy: -15.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -197.820052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.820052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.820052 (E_RNA)
where:
Base-Base interactions energy: -119.926
where: short stacking energy: -57.150
Base-Backbone interact. energy: 2.275
local terms energy: -80.169546
where:
bonds (distance) C4'-P energy: -19.832
bonds (distance) P-C4' energy: -21.266
flat angles C4'-P-C4' energy: -16.235
flat angles P-C4'-P energy: -8.959
tors. eta vs tors. theta energy: -13.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -104.169898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.169898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.169898 (E_RNA)
where:
Base-Base interactions energy: -33.330
where: short stacking energy: -33.330
Base-Backbone interact. energy: 0.344
local terms energy: -71.183618
where:
bonds (distance) C4'-P energy: -22.599
bonds (distance) P-C4' energy: -22.952
flat angles C4'-P-C4' energy: -15.228
flat angles P-C4'-P energy: -11.509
tors. eta vs tors. theta energy: 1.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -371.546372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.546372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.546372 (E_RNA)
where:
Base-Base interactions energy: -249.453
where: short stacking energy: -104.590
Base-Backbone interact. energy: -0.208
local terms energy: -121.885690
where:
bonds (distance) C4'-P energy: -21.900
bonds (distance) P-C4' energy: -26.222
flat angles C4'-P-C4' energy: -23.158
flat angles P-C4'-P energy: -16.216
tors. eta vs tors. theta energy: -34.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -329.388507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.388507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.388507 (E_RNA)
where:
Base-Base interactions energy: -220.986
where: short stacking energy: -106.119
Base-Backbone interact. energy: -1.559
local terms energy: -106.843448
where:
bonds (distance) C4'-P energy: -21.561
bonds (distance) P-C4' energy: -20.353
flat angles C4'-P-C4' energy: -20.111
flat angles P-C4'-P energy: -13.370
tors. eta vs tors. theta energy: -31.449
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: 3, replica: 4
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -327.262347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.262347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.262347 (E_RNA)
where:
Base-Base interactions energy: -220.696
where: short stacking energy: -98.194
Base-Backbone interact. energy: -0.441
local terms energy: -106.125940
where:
bonds (distance) C4'-P energy: -18.595
bonds (distance) P-C4' energy: -21.823
flat angles C4'-P-C4' energy: -25.100
flat angles P-C4'-P energy: -15.580
tors. eta vs tors. theta energy: -25.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -291.759447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.759447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.759447 (E_RNA)
where:
Base-Base interactions energy: -198.954
where: short stacking energy: -85.457
Base-Backbone interact. energy: -0.426
local terms energy: -92.379256
where:
bonds (distance) C4'-P energy: -20.843
bonds (distance) P-C4' energy: -20.153
flat angles C4'-P-C4' energy: -18.901
flat angles P-C4'-P energy: -15.687
tors. eta vs tors. theta energy: -16.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -291.294230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.294230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.294230 (E_RNA)
where:
Base-Base interactions energy: -187.358
where: short stacking energy: -82.132
Base-Backbone interact. energy: -0.169
local terms energy: -103.767019
where:
bonds (distance) C4'-P energy: -17.528
bonds (distance) P-C4' energy: -24.308
flat angles C4'-P-C4' energy: -25.378
flat angles P-C4'-P energy: -15.181
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: 6, replica: 8
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -260.890207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.890207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.890207 (E_RNA)
where:
Base-Base interactions energy: -166.667
where: short stacking energy: -90.703
Base-Backbone interact. energy: -1.041
local terms energy: -93.181986
where:
bonds (distance) C4'-P energy: -20.778
bonds (distance) P-C4' energy: -17.595
flat angles C4'-P-C4' energy: -19.072
flat angles P-C4'-P energy: -17.708
tors. eta vs tors. theta energy: -18.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -205.949463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.949463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.949463 (E_RNA)
where:
Base-Base interactions energy: -121.483
where: short stacking energy: -64.741
Base-Backbone interact. energy: -0.211
local terms energy: -84.255760
where:
bonds (distance) C4'-P energy: -16.773
bonds (distance) P-C4' energy: -19.751
flat angles C4'-P-C4' energy: -19.591
flat angles P-C4'-P energy: -14.781
tors. eta vs tors. theta energy: -13.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -254.831707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.831707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.831707 (E_RNA)
where:
Base-Base interactions energy: -158.070
where: short stacking energy: -59.418
Base-Backbone interact. energy: -0.145
local terms energy: -96.616323
where:
bonds (distance) C4'-P energy: -26.466
bonds (distance) P-C4' energy: -18.281
flat angles C4'-P-C4' energy: -17.913
flat angles P-C4'-P energy: -13.318
tors. eta vs tors. theta energy: -20.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -193.007103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.007103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.007103 (E_RNA)
where:
Base-Base interactions energy: -120.013
where: short stacking energy: -59.354
Base-Backbone interact. energy: 5.456
local terms energy: -78.449982
where:
bonds (distance) C4'-P energy: -17.561
bonds (distance) P-C4' energy: -20.818
flat angles C4'-P-C4' energy: -24.547
flat angles P-C4'-P energy: -4.097
tors. eta vs tors. theta energy: -11.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -116.894676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.894676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.894676 (E_RNA)
where:
Base-Base interactions energy: -40.382
where: short stacking energy: -21.580
Base-Backbone interact. energy: 0.260
local terms energy: -76.772626
where:
bonds (distance) C4'-P energy: -20.149
bonds (distance) P-C4' energy: -24.796
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -12.615
tors. eta vs tors. theta energy: -3.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -368.531455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.531455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.531455 (E_RNA)
where:
Base-Base interactions energy: -252.849
where: short stacking energy: -108.101
Base-Backbone interact. energy: -0.030
local terms energy: -115.652482
where:
bonds (distance) C4'-P energy: -19.195
bonds (distance) P-C4' energy: -21.764
flat angles C4'-P-C4' energy: -26.893
flat angles P-C4'-P energy: -13.255
tors. eta vs tors. theta energy: -34.546
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: 7
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -333.849537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.849537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.849537 (E_RNA)
where:
Base-Base interactions energy: -235.734
where: short stacking energy: -94.726
Base-Backbone interact. energy: 0.181
local terms energy: -98.297097
where:
bonds (distance) C4'-P energy: -21.021
bonds (distance) P-C4' energy: -19.974
flat angles C4'-P-C4' energy: -22.293
flat angles P-C4'-P energy: -13.602
tors. eta vs tors. theta energy: -21.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -303.125322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.125322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.125322 (E_RNA)
where:
Base-Base interactions energy: -196.987
where: short stacking energy: -88.485
Base-Backbone interact. energy: -0.167
local terms energy: -105.970607
where:
bonds (distance) C4'-P energy: -20.293
bonds (distance) P-C4' energy: -22.317
flat angles C4'-P-C4' energy: -22.195
flat angles P-C4'-P energy: -18.736
tors. eta vs tors. theta energy: -22.429
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: 4
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -338.114242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.114242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.114242 (E_RNA)
where:
Base-Base interactions energy: -232.101
where: short stacking energy: -96.163
Base-Backbone interact. energy: 0.406
local terms energy: -106.419087
where:
bonds (distance) C4'-P energy: -16.046
bonds (distance) P-C4' energy: -22.038
flat angles C4'-P-C4' energy: -25.385
flat angles P-C4'-P energy: -8.789
tors. eta vs tors. theta energy: -34.161
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: 8
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -281.216479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.216479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.216479 (E_RNA)
where:
Base-Base interactions energy: -175.390
where: short stacking energy: -77.249
Base-Backbone interact. energy: -0.249
local terms energy: -105.577400
where:
bonds (distance) C4'-P energy: -23.017
bonds (distance) P-C4' energy: -25.730
flat angles C4'-P-C4' energy: -23.936
flat angles P-C4'-P energy: -17.612
tors. eta vs tors. theta energy: -15.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -285.857271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.857271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.857271 (E_RNA)
where:
Base-Base interactions energy: -183.146
where: short stacking energy: -78.824
Base-Backbone interact. energy: -0.981
local terms energy: -101.729877
where:
bonds (distance) C4'-P energy: -22.521
bonds (distance) P-C4' energy: -18.499
flat angles C4'-P-C4' energy: -22.908
flat angles P-C4'-P energy: -14.024
tors. eta vs tors. theta energy: -23.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -248.165730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.165730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.165730 (E_RNA)
where:
Base-Base interactions energy: -155.352
where: short stacking energy: -69.568
Base-Backbone interact. energy: 1.592
local terms energy: -94.406301
where:
bonds (distance) C4'-P energy: -17.656
bonds (distance) P-C4' energy: -22.320
flat angles C4'-P-C4' energy: -22.313
flat angles P-C4'-P energy: -18.693
tors. eta vs tors. theta energy: -13.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -203.410614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.410614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.410614 (E_RNA)
where:
Base-Base interactions energy: -113.173
where: short stacking energy: -56.254
Base-Backbone interact. energy: 0.093
local terms energy: -90.330040
where:
bonds (distance) C4'-P energy: -24.896
bonds (distance) P-C4' energy: -24.428
flat angles C4'-P-C4' energy: -13.495
flat angles P-C4'-P energy: -16.275
tors. eta vs tors. theta energy: -11.235
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: 10
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -191.039912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.039912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.039912 (E_RNA)
where:
Base-Base interactions energy: -116.677
where: short stacking energy: -55.906
Base-Backbone interact. energy: -0.661
local terms energy: -73.701704
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -23.775
flat angles C4'-P-C4' energy: -20.817
flat angles P-C4'-P energy: -9.244
tors. eta vs tors. theta energy: -4.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -118.242584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.242584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.242584 (E_RNA)
where:
Base-Base interactions energy: -51.243
where: short stacking energy: -41.762
Base-Backbone interact. energy: -0.462
local terms energy: -66.537533
where:
bonds (distance) C4'-P energy: -7.515
bonds (distance) P-C4' energy: -18.617
flat angles C4'-P-C4' energy: -21.365
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -9.198
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: 1, replica: 5
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -372.644806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.644806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.644806 (E_RNA)
where:
Base-Base interactions energy: -263.437
where: short stacking energy: -111.224
Base-Backbone interact. energy: -0.838
local terms energy: -108.370099
where:
bonds (distance) C4'-P energy: -18.423
bonds (distance) P-C4' energy: -21.837
flat angles C4'-P-C4' energy: -21.321
flat angles P-C4'-P energy: -12.201
tors. eta vs tors. theta energy: -34.588
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: 7
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -359.853044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.853044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.853044 (E_RNA)
where:
Base-Base interactions energy: -245.870
where: short stacking energy: -94.100
Base-Backbone interact. energy: -0.425
local terms energy: -113.557735
where:
bonds (distance) C4'-P energy: -19.797
bonds (distance) P-C4' energy: -23.177
flat angles C4'-P-C4' energy: -25.269
flat angles P-C4'-P energy: -17.038
tors. eta vs tors. theta energy: -28.277
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: 6
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -307.647308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.647308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.647308 (E_RNA)
where:
Base-Base interactions energy: -203.015
where: short stacking energy: -91.548
Base-Backbone interact. energy: -0.434
local terms energy: -104.198161
where:
bonds (distance) C4'-P energy: -19.552
bonds (distance) P-C4' energy: -19.872
flat angles C4'-P-C4' energy: -23.328
flat angles P-C4'-P energy: -17.453
tors. eta vs tors. theta energy: -23.992
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: 4
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -334.738927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.738927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.738927 (E_RNA)
where:
Base-Base interactions energy: -219.824
where: short stacking energy: -88.478
Base-Backbone interact. energy: -0.526
local terms energy: -114.389279
where:
bonds (distance) C4'-P energy: -20.231
bonds (distance) P-C4' energy: -21.497
flat angles C4'-P-C4' energy: -23.670
flat angles P-C4'-P energy: -20.800
tors. eta vs tors. theta energy: -28.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -263.185484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.185484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.185484 (E_RNA)
where:
Base-Base interactions energy: -173.816
where: short stacking energy: -77.822
Base-Backbone interact. energy: 1.629
local terms energy: -90.998866
where:
bonds (distance) C4'-P energy: -22.161
bonds (distance) P-C4' energy: -19.651
flat angles C4'-P-C4' energy: -20.318
flat angles P-C4'-P energy: -11.922
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: 6, replica: 1
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -285.980851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.980851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.980851 (E_RNA)
where:
Base-Base interactions energy: -188.135
where: short stacking energy: -91.219
Base-Backbone interact. energy: -0.506
local terms energy: -97.339538
where:
bonds (distance) C4'-P energy: -20.472
bonds (distance) P-C4' energy: -15.750
flat angles C4'-P-C4' energy: -23.709
flat angles P-C4'-P energy: -13.047
tors. eta vs tors. theta energy: -24.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -277.144730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.144730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.144730 (E_RNA)
where:
Base-Base interactions energy: -175.301
where: short stacking energy: -79.394
Base-Backbone interact. energy: 0.078
local terms energy: -101.920839
where:
bonds (distance) C4'-P energy: -21.088
bonds (distance) P-C4' energy: -20.025
flat angles C4'-P-C4' energy: -21.157
flat angles P-C4'-P energy: -17.178
tors. eta vs tors. theta energy: -22.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -190.603073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.603073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.603073 (E_RNA)
where:
Base-Base interactions energy: -112.991
where: short stacking energy: -54.693
Base-Backbone interact. energy: -0.421
local terms energy: -77.190839
where:
bonds (distance) C4'-P energy: -23.663
bonds (distance) P-C4' energy: -20.309
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -9.815
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: 9
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -206.972227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.972227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.972227 (E_RNA)
where:
Base-Base interactions energy: -131.163
where: short stacking energy: -71.809
Base-Backbone interact. energy: -0.178
local terms energy: -75.631393
where:
bonds (distance) C4'-P energy: -19.519
bonds (distance) P-C4' energy: -11.614
flat angles C4'-P-C4' energy: -17.633
flat angles P-C4'-P energy: -17.752
tors. eta vs tors. theta energy: -9.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -115.281694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.281694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.281694 (E_RNA)
where:
Base-Base interactions energy: -44.804
where: short stacking energy: -24.124
Base-Backbone interact. energy: 0.100
local terms energy: -70.577708
where:
bonds (distance) C4'-P energy: -22.945
bonds (distance) P-C4' energy: -24.780
flat angles C4'-P-C4' energy: -20.162
flat angles P-C4'-P energy: -15.466
tors. eta vs tors. theta energy: 12.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -373.787590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.787590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.787590 (E_RNA)
where:
Base-Base interactions energy: -246.338
where: short stacking energy: -109.653
Base-Backbone interact. energy: 0.330
local terms energy: -127.779699
where:
bonds (distance) C4'-P energy: -21.870
bonds (distance) P-C4' energy: -26.631
flat angles C4'-P-C4' energy: -27.126
flat angles P-C4'-P energy: -16.502
tors. eta vs tors. theta energy: -35.652
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: 2, replica: 7
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -335.071296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.071296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.071296 (E_RNA)
where:
Base-Base interactions energy: -224.661
where: short stacking energy: -88.830
Base-Backbone interact. energy: 0.080
local terms energy: -110.490307
where:
bonds (distance) C4'-P energy: -22.106
bonds (distance) P-C4' energy: -25.819
flat angles C4'-P-C4' energy: -23.568
flat angles P-C4'-P energy: -17.354
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: 4
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -342.862016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.862016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.862016 (E_RNA)
where:
Base-Base interactions energy: -232.772
where: short stacking energy: -93.503
Base-Backbone interact. energy: -0.283
local terms energy: -109.806779
where:
bonds (distance) C4'-P energy: -25.197
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -23.625
flat angles P-C4'-P energy: -16.496
tors. eta vs tors. theta energy: -30.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -317.055224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.055224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.055224 (E_RNA)
where:
Base-Base interactions energy: -213.276
where: short stacking energy: -98.453
Base-Backbone interact. energy: -0.371
local terms energy: -103.408135
where:
bonds (distance) C4'-P energy: -17.238
bonds (distance) P-C4' energy: -21.647
flat angles C4'-P-C4' energy: -23.588
flat angles P-C4'-P energy: -16.069
tors. eta vs tors. theta energy: -24.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -276.811992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.811992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.811992 (E_RNA)
where:
Base-Base interactions energy: -168.644
where: short stacking energy: -84.829
Base-Backbone interact. energy: -0.466
local terms energy: -107.701868
where:
bonds (distance) C4'-P energy: -19.739
bonds (distance) P-C4' energy: -24.428
flat angles C4'-P-C4' energy: -21.358
flat angles P-C4'-P energy: -18.164
tors. eta vs tors. theta energy: -24.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -262.249867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.249867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.249867 (E_RNA)
where:
Base-Base interactions energy: -177.016
where: short stacking energy: -72.515
Base-Backbone interact. energy: -0.264
local terms energy: -84.970231
where:
bonds (distance) C4'-P energy: -21.668
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -19.007
flat angles P-C4'-P energy: -14.455
tors. eta vs tors. theta energy: -15.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -233.752383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.752383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.752383 (E_RNA)
where:
Base-Base interactions energy: -138.975
where: short stacking energy: -80.183
Base-Backbone interact. energy: -0.766
local terms energy: -94.011132
where:
bonds (distance) C4'-P energy: -19.054
bonds (distance) P-C4' energy: -23.048
flat angles C4'-P-C4' energy: -24.396
flat angles P-C4'-P energy: -11.770
tors. eta vs tors. theta energy: -15.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -245.635720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.635720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.635720 (E_RNA)
where:
Base-Base interactions energy: -159.277
where: short stacking energy: -65.918
Base-Backbone interact. energy: -0.499
local terms energy: -85.860278
where:
bonds (distance) C4'-P energy: -18.120
bonds (distance) P-C4' energy: -22.032
flat angles C4'-P-C4' energy: -18.848
flat angles P-C4'-P energy: -10.353
tors. eta vs tors. theta energy: -16.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -209.590272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.590272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.590272 (E_RNA)
where:
Base-Base interactions energy: -133.814
where: short stacking energy: -64.662
Base-Backbone interact. energy: -0.777
local terms energy: -74.998735
where:
bonds (distance) C4'-P energy: -17.417
bonds (distance) P-C4' energy: -20.642
flat angles C4'-P-C4' energy: -13.352
flat angles P-C4'-P energy: -11.846
tors. eta vs tors. theta energy: -11.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -118.299695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.299695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.299695 (E_RNA)
where:
Base-Base interactions energy: -49.653
where: short stacking energy: -41.465
Base-Backbone interact. energy: 2.464
local terms energy: -71.111312
where:
bonds (distance) C4'-P energy: -18.371
bonds (distance) P-C4' energy: -19.952
flat angles C4'-P-C4' energy: -24.961
flat angles P-C4'-P energy: -1.638
tors. eta vs tors. theta energy: -6.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -375.421233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.421233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.421233 (E_RNA)
where:
Base-Base interactions energy: -247.844
where: short stacking energy: -111.943
Base-Backbone interact. energy: -0.183
local terms energy: -127.393859
where:
bonds (distance) C4'-P energy: -24.598
bonds (distance) P-C4' energy: -24.089
flat angles C4'-P-C4' energy: -22.328
flat angles P-C4'-P energy: -20.085
tors. eta vs tors. theta energy: -36.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -338.489724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.489724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.489724 (E_RNA)
where:
Base-Base interactions energy: -215.624
where: short stacking energy: -101.694
Base-Backbone interact. energy: 0.735
local terms energy: -123.601109
where:
bonds (distance) C4'-P energy: -17.934
bonds (distance) P-C4' energy: -23.370
flat angles C4'-P-C4' energy: -27.957
flat angles P-C4'-P energy: -22.046
tors. eta vs tors. theta energy: -32.295
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: 7
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -329.035997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.035997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.035997 (E_RNA)
where:
Base-Base interactions energy: -227.542
where: short stacking energy: -80.772
Base-Backbone interact. energy: -0.961
local terms energy: -100.533508
where:
bonds (distance) C4'-P energy: -17.441
bonds (distance) P-C4' energy: -23.390
flat angles C4'-P-C4' energy: -22.336
flat angles P-C4'-P energy: -16.284
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: 4, replica: 1
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -277.022442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.022442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.022442 (E_RNA)
where:
Base-Base interactions energy: -171.622
where: short stacking energy: -81.002
Base-Backbone interact. energy: -0.043
local terms energy: -105.356730
where:
bonds (distance) C4'-P energy: -21.141
bonds (distance) P-C4' energy: -18.806
flat angles C4'-P-C4' energy: -25.394
flat angles P-C4'-P energy: -15.021
tors. eta vs tors. theta energy: -24.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -311.436097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.436097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.436097 (E_RNA)
where:
Base-Base interactions energy: -208.377
where: short stacking energy: -98.594
Base-Backbone interact. energy: -0.035
local terms energy: -103.024433
where:
bonds (distance) C4'-P energy: -18.407
bonds (distance) P-C4' energy: -20.583
flat angles C4'-P-C4' energy: -22.570
flat angles P-C4'-P energy: -17.395
tors. eta vs tors. theta energy: -24.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -286.974084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.974084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.974084 (E_RNA)
where:
Base-Base interactions energy: -176.006
where: short stacking energy: -89.549
Base-Backbone interact. energy: -0.020
local terms energy: -110.948392
where:
bonds (distance) C4'-P energy: -23.904
bonds (distance) P-C4' energy: -20.197
flat angles C4'-P-C4' energy: -20.903
flat angles P-C4'-P energy: -17.599
tors. eta vs tors. theta energy: -28.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -226.372504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.372504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.372504 (E_RNA)
where:
Base-Base interactions energy: -136.083
where: short stacking energy: -68.910
Base-Backbone interact. energy: -0.230
local terms energy: -90.059417
where:
bonds (distance) C4'-P energy: -17.561
bonds (distance) P-C4' energy: -24.107
flat angles C4'-P-C4' energy: -20.104
flat angles P-C4'-P energy: -15.856
tors. eta vs tors. theta energy: -12.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -244.209810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.209810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.209810 (E_RNA)
where:
Base-Base interactions energy: -154.349
where: short stacking energy: -74.861
Base-Backbone interact. energy: -0.239
local terms energy: -89.622515
where:
bonds (distance) C4'-P energy: -18.804
bonds (distance) P-C4' energy: -22.883
flat angles C4'-P-C4' energy: -16.769
flat angles P-C4'-P energy: -15.314
tors. eta vs tors. theta energy: -15.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -193.884004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.884004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.884004 (E_RNA)
where:
Base-Base interactions energy: -122.542
where: short stacking energy: -66.208
Base-Backbone interact. energy: -0.381
local terms energy: -70.961180
where:
bonds (distance) C4'-P energy: -20.302
bonds (distance) P-C4' energy: -15.105
flat angles C4'-P-C4' energy: -16.186
flat angles P-C4'-P energy: -10.088
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: 10, replica: 2
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -107.459078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.459078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.459078 (E_RNA)
where:
Base-Base interactions energy: -39.273
where: short stacking energy: -36.286
Base-Backbone interact. energy: -0.057
local terms energy: -68.128932
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -23.666
flat angles C4'-P-C4' energy: -16.178
flat angles P-C4'-P energy: -9.930
tors. eta vs tors. theta energy: -3.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -374.638557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.638557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.638557 (E_RNA)
where:
Base-Base interactions energy: -248.017
where: short stacking energy: -109.035
Base-Backbone interact. energy: -0.014
local terms energy: -126.607679
where:
bonds (distance) C4'-P energy: -22.057
bonds (distance) P-C4' energy: -26.241
flat angles C4'-P-C4' energy: -23.634
flat angles P-C4'-P energy: -20.538
tors. eta vs tors. theta energy: -34.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -351.468213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.468213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.468213 (E_RNA)
where:
Base-Base interactions energy: -235.289
where: short stacking energy: -110.131
Base-Backbone interact. energy: -2.155
local terms energy: -114.024686
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -25.359
flat angles C4'-P-C4' energy: -22.848
flat angles P-C4'-P energy: -15.631
tors. eta vs tors. theta energy: -32.611
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: 3, replica: 1
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -295.674110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.674110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.674110 (E_RNA)
where:
Base-Base interactions energy: -179.857
where: short stacking energy: -94.650
Base-Backbone interact. energy: -0.342
local terms energy: -115.474473
where:
bonds (distance) C4'-P energy: -26.305
bonds (distance) P-C4' energy: -26.281
flat angles C4'-P-C4' energy: -21.090
flat angles P-C4'-P energy: -16.513
tors. eta vs tors. theta energy: -25.286
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: 4, replica: 7
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -322.397302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.397302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.397302 (E_RNA)
where:
Base-Base interactions energy: -221.896
where: short stacking energy: -94.974
Base-Backbone interact. energy: -0.298
local terms energy: -100.203114
where:
bonds (distance) C4'-P energy: -18.510
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -20.767
flat angles P-C4'-P energy: -17.599
tors. eta vs tors. theta energy: -26.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -280.457201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.457201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.457201 (E_RNA)
where:
Base-Base interactions energy: -186.094
where: short stacking energy: -94.698
Base-Backbone interact. energy: -0.145
local terms energy: -94.218965
where:
bonds (distance) C4'-P energy: -11.073
bonds (distance) P-C4' energy: -24.281
flat angles C4'-P-C4' energy: -25.980
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -23.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -280.659612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.659612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.659612 (E_RNA)
where:
Base-Base interactions energy: -184.092
where: short stacking energy: -81.062
Base-Backbone interact. energy: 0.450
local terms energy: -97.017888
where:
bonds (distance) C4'-P energy: -20.909
bonds (distance) P-C4' energy: -19.589
flat angles C4'-P-C4' energy: -24.406
flat angles P-C4'-P energy: -13.091
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: 7, replica: 10
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -258.952708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.952708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.952708 (E_RNA)
where:
Base-Base interactions energy: -156.622
where: short stacking energy: -70.042
Base-Backbone interact. energy: -0.012
local terms energy: -102.318876
where:
bonds (distance) C4'-P energy: -22.143
bonds (distance) P-C4' energy: -23.788
flat angles C4'-P-C4' energy: -25.251
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: -19.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -237.659744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.659744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.659744 (E_RNA)
where:
Base-Base interactions energy: -149.776
where: short stacking energy: -62.891
Base-Backbone interact. energy: -0.278
local terms energy: -87.606214
where:
bonds (distance) C4'-P energy: -15.449
bonds (distance) P-C4' energy: -23.539
flat angles C4'-P-C4' energy: -22.381
flat angles P-C4'-P energy: -15.727
tors. eta vs tors. theta energy: -10.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -200.437292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.437292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.437292 (E_RNA)
where:
Base-Base interactions energy: -123.582
where: short stacking energy: -60.287
Base-Backbone interact. energy: 0.474
local terms energy: -77.329192
where:
bonds (distance) C4'-P energy: -21.299
bonds (distance) P-C4' energy: -25.987
flat angles C4'-P-C4' energy: -16.383
flat angles P-C4'-P energy: -9.114
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: 2
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -116.519697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.519697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.519697 (E_RNA)
where:
Base-Base interactions energy: -58.218
where: short stacking energy: -30.456
Base-Backbone interact. energy: 1.399
local terms energy: -59.701128
where:
bonds (distance) C4'-P energy: -16.812
bonds (distance) P-C4' energy: -23.599
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -1.394
tors. eta vs tors. theta energy: -1.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -368.729466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.729466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.729466 (E_RNA)
where:
Base-Base interactions energy: -250.143
where: short stacking energy: -109.086
Base-Backbone interact. energy: -0.073
local terms energy: -118.513563
where:
bonds (distance) C4'-P energy: -22.414
bonds (distance) P-C4' energy: -23.098
flat angles C4'-P-C4' energy: -25.445
flat angles P-C4'-P energy: -14.523
tors. eta vs tors. theta energy: -33.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -351.145705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.145705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.145705 (E_RNA)
where:
Base-Base interactions energy: -242.962
where: short stacking energy: -99.414
Base-Backbone interact. energy: -0.193
local terms energy: -107.990472
where:
bonds (distance) C4'-P energy: -23.527
bonds (distance) P-C4' energy: -20.382
flat angles C4'-P-C4' energy: -23.818
flat angles P-C4'-P energy: -17.744
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: 3, replica: 1
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -284.575452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.575452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.575452 (E_RNA)
where:
Base-Base interactions energy: -178.758
where: short stacking energy: -95.593
Base-Backbone interact. energy: -0.126
local terms energy: -105.690672
where:
bonds (distance) C4'-P energy: -21.390
bonds (distance) P-C4' energy: -21.647
flat angles C4'-P-C4' energy: -22.444
flat angles P-C4'-P energy: -17.780
tors. eta vs tors. theta energy: -22.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -314.140697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.140697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.140697 (E_RNA)
where:
Base-Base interactions energy: -213.389
where: short stacking energy: -83.355
Base-Backbone interact. energy: 0.150
local terms energy: -100.901610
where:
bonds (distance) C4'-P energy: -16.884
bonds (distance) P-C4' energy: -20.783
flat angles C4'-P-C4' energy: -21.238
flat angles P-C4'-P energy: -17.894
tors. eta vs tors. theta energy: -24.102
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: 8
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -294.031818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.031818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.031818 (E_RNA)
where:
Base-Base interactions energy: -197.224
where: short stacking energy: -79.446
Base-Backbone interact. energy: 0.124
local terms energy: -96.931742
where:
bonds (distance) C4'-P energy: -20.466
bonds (distance) P-C4' energy: -21.117
flat angles C4'-P-C4' energy: -19.369
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -23.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -274.063926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.063926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.063926 (E_RNA)
where:
Base-Base interactions energy: -183.640
where: short stacking energy: -88.552
Base-Backbone interact. energy: -0.039
local terms energy: -90.385450
where:
bonds (distance) C4'-P energy: -21.277
bonds (distance) P-C4' energy: -19.062
flat angles C4'-P-C4' energy: -24.049
flat angles P-C4'-P energy: -5.320
tors. eta vs tors. theta energy: -20.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -214.544325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.544325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.544325 (E_RNA)
where:
Base-Base interactions energy: -119.510
where: short stacking energy: -64.399
Base-Backbone interact. energy: -0.411
local terms energy: -94.624237
where:
bonds (distance) C4'-P energy: -14.560
bonds (distance) P-C4' energy: -23.825
flat angles C4'-P-C4' energy: -23.645
flat angles P-C4'-P energy: -20.572
tors. eta vs tors. theta energy: -12.023
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: 3
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -231.486388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.486388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.486388 (E_RNA)
where:
Base-Base interactions energy: -140.429
where: short stacking energy: -63.195
Base-Backbone interact. energy: -0.379
local terms energy: -90.677432
where:
bonds (distance) C4'-P energy: -24.472
bonds (distance) P-C4' energy: -23.137
flat angles C4'-P-C4' energy: -18.919
flat angles P-C4'-P energy: -14.429
tors. eta vs tors. theta energy: -9.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -218.808834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.808834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.808834 (E_RNA)
where:
Base-Base interactions energy: -131.123
where: short stacking energy: -72.479
Base-Backbone interact. energy: 1.246
local terms energy: -88.931757
where:
bonds (distance) C4'-P energy: -22.678
bonds (distance) P-C4' energy: -20.250
flat angles C4'-P-C4' energy: -14.957
flat angles P-C4'-P energy: -9.511
tors. eta vs tors. theta energy: -21.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -115.391317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.391317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.391317 (E_RNA)
where:
Base-Base interactions energy: -49.185
where: short stacking energy: -35.040
Base-Backbone interact. energy: -0.791
local terms energy: -65.415908
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -22.533
flat angles C4'-P-C4' energy: -11.945
flat angles P-C4'-P energy: -13.609
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: 1, replica: 5
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -370.169026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.169026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.169026 (E_RNA)
where:
Base-Base interactions energy: -241.012
where: short stacking energy: -113.644
Base-Backbone interact. energy: -0.008
local terms energy: -129.148825
where:
bonds (distance) C4'-P energy: -26.465
bonds (distance) P-C4' energy: -24.524
flat angles C4'-P-C4' energy: -25.556
flat angles P-C4'-P energy: -19.279
tors. eta vs tors. theta energy: -33.325
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: 2, replica: 4
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -345.691116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.691116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.691116 (E_RNA)
where:
Base-Base interactions energy: -233.486
where: short stacking energy: -92.403
Base-Backbone interact. energy: -0.172
local terms energy: -112.032519
where:
bonds (distance) C4'-P energy: -24.333
bonds (distance) P-C4' energy: -21.067
flat angles C4'-P-C4' energy: -23.802
flat angles P-C4'-P energy: -16.797
tors. eta vs tors. theta energy: -26.033
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: 3, replica: 7
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -340.559070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.559070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.559070 (E_RNA)
where:
Base-Base interactions energy: -232.581
where: short stacking energy: -108.807
Base-Backbone interact. energy: -0.065
local terms energy: -107.912710
where:
bonds (distance) C4'-P energy: -21.809
bonds (distance) P-C4' energy: -20.509
flat angles C4'-P-C4' energy: -23.013
flat angles P-C4'-P energy: -17.385
tors. eta vs tors. theta energy: -25.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -275.593793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.593793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.593793 (E_RNA)
where:
Base-Base interactions energy: -180.092
where: short stacking energy: -82.549
Base-Backbone interact. energy: -0.105
local terms energy: -95.396727
where:
bonds (distance) C4'-P energy: -13.061
bonds (distance) P-C4' energy: -24.640
flat angles C4'-P-C4' energy: -17.815
flat angles P-C4'-P energy: -19.390
tors. eta vs tors. theta energy: -20.491
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: 8
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -280.674044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.674044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.674044 (E_RNA)
where:
Base-Base interactions energy: -186.459
where: short stacking energy: -76.776
Base-Backbone interact. energy: 0.029
local terms energy: -94.244570
where:
bonds (distance) C4'-P energy: -20.260
bonds (distance) P-C4' energy: -19.381
flat angles C4'-P-C4' energy: -20.033
flat angles P-C4'-P energy: -16.395
tors. eta vs tors. theta energy: -18.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -281.669443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.669443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.669443 (E_RNA)
where:
Base-Base interactions energy: -185.972
where: short stacking energy: -84.107
Base-Backbone interact. energy: -0.049
local terms energy: -95.647824
where:
bonds (distance) C4'-P energy: -21.145
bonds (distance) P-C4' energy: -20.146
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -26.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -247.135929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.135929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.135929 (E_RNA)
where:
Base-Base interactions energy: -149.771
where: short stacking energy: -72.749
Base-Backbone interact. energy: -1.178
local terms energy: -96.187091
where:
bonds (distance) C4'-P energy: -22.961
bonds (distance) P-C4' energy: -19.939
flat angles C4'-P-C4' energy: -19.966
flat angles P-C4'-P energy: -12.949
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: 8, replica: 10
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -216.330888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.330888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.330888 (E_RNA)
where:
Base-Base interactions energy: -132.215
where: short stacking energy: -62.826
Base-Backbone interact. energy: -0.378
local terms energy: -83.738367
where:
bonds (distance) C4'-P energy: -19.316
bonds (distance) P-C4' energy: -19.541
flat angles C4'-P-C4' energy: -19.902
flat angles P-C4'-P energy: -13.655
tors. eta vs tors. theta energy: -11.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -223.936964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.936964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.936964 (E_RNA)
where:
Base-Base interactions energy: -145.147
where: short stacking energy: -66.791
Base-Backbone interact. energy: 0.811
local terms energy: -79.600608
where:
bonds (distance) C4'-P energy: -8.279
bonds (distance) P-C4' energy: -24.472
flat angles C4'-P-C4' energy: -15.987
flat angles P-C4'-P energy: -15.939
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: 10, replica: 2
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -120.237009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.237009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.237009 (E_RNA)
where:
Base-Base interactions energy: -48.419
where: short stacking energy: -34.467
Base-Backbone interact. energy: 0.904
local terms energy: -72.722386
where:
bonds (distance) C4'-P energy: -15.637
bonds (distance) P-C4' energy: -23.385
flat angles C4'-P-C4' energy: -14.769
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: -10.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -373.387366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.387366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.387366 (E_RNA)
where:
Base-Base interactions energy: -253.040
where: short stacking energy: -114.207
Base-Backbone interact. energy: -0.019
local terms energy: -120.328970
where:
bonds (distance) C4'-P energy: -25.184
bonds (distance) P-C4' energy: -22.362
flat angles C4'-P-C4' energy: -26.554
flat angles P-C4'-P energy: -14.639
tors. eta vs tors. theta energy: -31.590
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: 7
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -349.107089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.107089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.107089 (E_RNA)
where:
Base-Base interactions energy: -241.330
where: short stacking energy: -105.496
Base-Backbone interact. energy: -0.520
local terms energy: -107.256664
where:
bonds (distance) C4'-P energy: -24.382
bonds (distance) P-C4' energy: -24.831
flat angles C4'-P-C4' energy: -23.525
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: -24.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -336.542822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.542822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.542822 (E_RNA)
where:
Base-Base interactions energy: -226.540
where: short stacking energy: -95.267
Base-Backbone interact. energy: -0.614
local terms energy: -109.388719
where:
bonds (distance) C4'-P energy: -19.559
bonds (distance) P-C4' energy: -20.081
flat angles C4'-P-C4' energy: -24.969
flat angles P-C4'-P energy: -15.278
tors. eta vs tors. theta energy: -29.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -306.284938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.284938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.284938 (E_RNA)
where:
Base-Base interactions energy: -192.840
where: short stacking energy: -105.113
Base-Backbone interact. energy: -0.288
local terms energy: -113.157288
where:
bonds (distance) C4'-P energy: -17.010
bonds (distance) P-C4' energy: -23.560
flat angles C4'-P-C4' energy: -25.484
flat angles P-C4'-P energy: -14.055
tors. eta vs tors. theta energy: -33.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -298.048482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.048482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.048482 (E_RNA)
where:
Base-Base interactions energy: -191.053
where: short stacking energy: -94.204
Base-Backbone interact. energy: -1.171
local terms energy: -105.825049
where:
bonds (distance) C4'-P energy: -15.873
bonds (distance) P-C4' energy: -24.967
flat angles C4'-P-C4' energy: -20.794
flat angles P-C4'-P energy: -18.430
tors. eta vs tors. theta energy: -25.761
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: 6
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -274.556789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.556789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.556789 (E_RNA)
where:
Base-Base interactions energy: -171.936
where: short stacking energy: -76.899
Base-Backbone interact. energy: -0.566
local terms energy: -102.055191
where:
bonds (distance) C4'-P energy: -19.159
bonds (distance) P-C4' energy: -24.754
flat angles C4'-P-C4' energy: -21.740
flat angles P-C4'-P energy: -12.961
tors. eta vs tors. theta energy: -23.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -261.761082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.761082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.761082 (E_RNA)
where:
Base-Base interactions energy: -155.707
where: short stacking energy: -80.408
Base-Backbone interact. energy: -0.208
local terms energy: -105.846119
where:
bonds (distance) C4'-P energy: -22.388
bonds (distance) P-C4' energy: -21.201
flat angles C4'-P-C4' energy: -22.781
flat angles P-C4'-P energy: -16.493
tors. eta vs tors. theta energy: -22.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -244.692426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.692426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.692426 (E_RNA)
where:
Base-Base interactions energy: -150.369
where: short stacking energy: -68.065
Base-Backbone interact. energy: -0.072
local terms energy: -94.251992
where:
bonds (distance) C4'-P energy: -19.501
bonds (distance) P-C4' energy: -18.927
flat angles C4'-P-C4' energy: -22.225
flat angles P-C4'-P energy: -14.921
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: 9, replica: 10
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -226.333570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.333570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.333570 (E_RNA)
where:
Base-Base interactions energy: -141.015
where: short stacking energy: -62.289
Base-Backbone interact. energy: 1.559
local terms energy: -86.877741
where:
bonds (distance) C4'-P energy: -17.987
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -21.669
flat angles P-C4'-P energy: -18.089
tors. eta vs tors. theta energy: -13.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -104.891728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.891728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.891728 (E_RNA)
where:
Base-Base interactions energy: -32.720
where: short stacking energy: -25.142
Base-Backbone interact. energy: -0.390
local terms energy: -71.781317
where:
bonds (distance) C4'-P energy: -20.661
bonds (distance) P-C4' energy: -16.862
flat angles C4'-P-C4' energy: -18.709
flat angles P-C4'-P energy: -14.921
tors. eta vs tors. theta energy: -0.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -375.507447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.507447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.507447 (E_RNA)
where:
Base-Base interactions energy: -253.440
where: short stacking energy: -108.335
Base-Backbone interact. energy: -0.090
local terms energy: -121.977876
where:
bonds (distance) C4'-P energy: -19.825
bonds (distance) P-C4' energy: -27.517
flat angles C4'-P-C4' energy: -22.069
flat angles P-C4'-P energy: -18.479
tors. eta vs tors. theta energy: -34.088
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: 414
Temperature: 0.950000
Total energy: -356.069948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.069948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.069948 (E_RNA)
where:
Base-Base interactions energy: -246.022
where: short stacking energy: -105.641
Base-Backbone interact. energy: -0.129
local terms energy: -109.918842
where:
bonds (distance) C4'-P energy: -17.625
bonds (distance) P-C4' energy: -25.589
flat angles C4'-P-C4' energy: -23.760
flat angles P-C4'-P energy: -15.224
tors. eta vs tors. theta energy: -27.721
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: 1
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -308.936429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.936429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.936429 (E_RNA)
where:
Base-Base interactions energy: -192.875
where: short stacking energy: -104.461
Base-Backbone interact. energy: 0.704
local terms energy: -116.765699
where:
bonds (distance) C4'-P energy: -19.662
bonds (distance) P-C4' energy: -23.268
flat angles C4'-P-C4' energy: -26.043
flat angles P-C4'-P energy: -13.816
tors. eta vs tors. theta energy: -33.977
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: 4
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -323.708904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.708904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.708904 (E_RNA)
where:
Base-Base interactions energy: -226.384
where: short stacking energy: -94.417
Base-Backbone interact. energy: -0.210
local terms energy: -97.115253
where:
bonds (distance) C4'-P energy: -18.654
bonds (distance) P-C4' energy: -18.503
flat angles C4'-P-C4' energy: -22.310
flat angles P-C4'-P energy: -16.803
tors. eta vs tors. theta energy: -20.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -268.171429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.171429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.171429 (E_RNA)
where:
Base-Base interactions energy: -180.927
where: short stacking energy: -80.781
Base-Backbone interact. energy: -0.662
local terms energy: -86.582403
where:
bonds (distance) C4'-P energy: -21.064
bonds (distance) P-C4' energy: -19.534
flat angles C4'-P-C4' energy: -17.453
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -18.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -271.585819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.585819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.585819 (E_RNA)
where:
Base-Base interactions energy: -173.401
where: short stacking energy: -84.282
Base-Backbone interact. energy: -0.040
local terms energy: -98.144069
where:
bonds (distance) C4'-P energy: -22.591
bonds (distance) P-C4' energy: -17.561
flat angles C4'-P-C4' energy: -21.211
flat angles P-C4'-P energy: -11.774
tors. eta vs tors. theta energy: -25.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -262.905969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.905969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.905969 (E_RNA)
where:
Base-Base interactions energy: -164.498
where: short stacking energy: -82.240
Base-Backbone interact. energy: -0.126
local terms energy: -98.281731
where:
bonds (distance) C4'-P energy: -19.647
bonds (distance) P-C4' energy: -23.520
flat angles C4'-P-C4' energy: -19.996
flat angles P-C4'-P energy: -16.474
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: 8, replica: 9
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -240.612266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.612266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.612266 (E_RNA)
where:
Base-Base interactions energy: -153.089
where: short stacking energy: -69.765
Base-Backbone interact. energy: -0.181
local terms energy: -87.343084
where:
bonds (distance) C4'-P energy: -17.089
bonds (distance) P-C4' energy: -21.847
flat angles C4'-P-C4' energy: -21.261
flat angles P-C4'-P energy: -8.103
tors. eta vs tors. theta energy: -19.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -114.863839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.863839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.863839 (E_RNA)
where:
Base-Base interactions energy: -46.641
where: short stacking energy: -45.610
Base-Backbone interact. energy: -0.208
local terms energy: -68.014636
where:
bonds (distance) C4'-P energy: -20.475
bonds (distance) P-C4' energy: -20.434
flat angles C4'-P-C4' energy: -17.689
flat angles P-C4'-P energy: -7.860
tors. eta vs tors. theta energy: -1.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -188.105414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.105414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.105414 (E_RNA)
where:
Base-Base interactions energy: -104.091
where: short stacking energy: -52.463
Base-Backbone interact. energy: 0.044
local terms energy: -84.058910
where:
bonds (distance) C4'-P energy: -20.963
bonds (distance) P-C4' energy: -21.905
flat angles C4'-P-C4' energy: -21.823
flat angles P-C4'-P energy: -13.044
tors. eta vs tors. theta energy: -6.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -371.832126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.832126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.832126 (E_RNA)
where:
Base-Base interactions energy: -254.846
where: short stacking energy: -110.398
Base-Backbone interact. energy: -0.244
local terms energy: -116.741920
where:
bonds (distance) C4'-P energy: -22.453
bonds (distance) P-C4' energy: -23.891
flat angles C4'-P-C4' energy: -23.654
flat angles P-C4'-P energy: -14.110
tors. eta vs tors. theta energy: -32.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -333.646691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.646691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.646691 (E_RNA)
where:
Base-Base interactions energy: -228.905
where: short stacking energy: -98.062
Base-Backbone interact. energy: -0.126
local terms energy: -104.616042
where:
bonds (distance) C4'-P energy: -20.386
bonds (distance) P-C4' energy: -23.384
flat angles C4'-P-C4' energy: -21.111
flat angles P-C4'-P energy: -17.069
tors. eta vs tors. theta energy: -22.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -317.134716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.134716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.134716 (E_RNA)
where:
Base-Base interactions energy: -207.850
where: short stacking energy: -95.143
Base-Backbone interact. energy: -0.312
local terms energy: -108.972390
where:
bonds (distance) C4'-P energy: -22.033
bonds (distance) P-C4' energy: -20.780
flat angles C4'-P-C4' energy: -22.759
flat angles P-C4'-P energy: -16.009
tors. eta vs tors. theta energy: -27.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -306.745898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.745898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.745898 (E_RNA)
where:
Base-Base interactions energy: -202.597
where: short stacking energy: -90.539
Base-Backbone interact. energy: -1.234
local terms energy: -102.914864
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -22.770
flat angles C4'-P-C4' energy: -27.194
flat angles P-C4'-P energy: -14.949
tors. eta vs tors. theta energy: -23.016
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: 8
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -269.742160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.742160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.742160 (E_RNA)
where:
Base-Base interactions energy: -177.489
where: short stacking energy: -88.117
Base-Backbone interact. energy: -0.491
local terms energy: -91.761549
where:
bonds (distance) C4'-P energy: -17.743
bonds (distance) P-C4' energy: -24.070
flat angles C4'-P-C4' energy: -17.801
flat angles P-C4'-P energy: -13.968
tors. eta vs tors. theta energy: -18.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -264.216011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.216011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.216011 (E_RNA)
where:
Base-Base interactions energy: -169.960
where: short stacking energy: -84.932
Base-Backbone interact. energy: 0.464
local terms energy: -94.719815
where:
bonds (distance) C4'-P energy: -9.148
bonds (distance) P-C4' energy: -21.364
flat angles C4'-P-C4' energy: -22.165
flat angles P-C4'-P energy: -18.377
tors. eta vs tors. theta energy: -23.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -244.851627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.851627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.851627 (E_RNA)
where:
Base-Base interactions energy: -152.278
where: short stacking energy: -77.473
Base-Backbone interact. energy: -0.137
local terms energy: -92.436437
where:
bonds (distance) C4'-P energy: -21.320
bonds (distance) P-C4' energy: -25.188
flat angles C4'-P-C4' energy: -20.258
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: -15.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -242.494932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.494932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.494932 (E_RNA)
where:
Base-Base interactions energy: -151.524
where: short stacking energy: -68.250
Base-Backbone interact. energy: -0.114
local terms energy: -90.857252
where:
bonds (distance) C4'-P energy: -19.035
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -20.339
flat angles P-C4'-P energy: -14.110
tors. eta vs tors. theta energy: -19.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -119.790202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.790202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.790202 (E_RNA)
where:
Base-Base interactions energy: -46.294
where: short stacking energy: -42.855
Base-Backbone interact. energy: -0.094
local terms energy: -73.402733
where:
bonds (distance) C4'-P energy: -22.806
bonds (distance) P-C4' energy: -21.900
flat angles C4'-P-C4' energy: -5.889
flat angles P-C4'-P energy: -9.614
tors. eta vs tors. theta energy: -13.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -187.612392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.612392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.612392 (E_RNA)
where:
Base-Base interactions energy: -117.122
where: short stacking energy: -56.827
Base-Backbone interact. energy: -0.201
local terms energy: -70.289739
where:
bonds (distance) C4'-P energy: -17.823
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -22.578
flat angles P-C4'-P energy: -10.533
tors. eta vs tors. theta energy: -1.783
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: 1, replica: 5
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -371.028891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.028891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.028891 (E_RNA)
where:
Base-Base interactions energy: -249.494
where: short stacking energy: -110.433
Base-Backbone interact. energy: -0.167
local terms energy: -121.367808
where:
bonds (distance) C4'-P energy: -21.994
bonds (distance) P-C4' energy: -23.971
flat angles C4'-P-C4' energy: -23.673
flat angles P-C4'-P energy: -15.964
tors. eta vs tors. theta energy: -35.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -339.335943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.335943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.335943 (E_RNA)
where:
Base-Base interactions energy: -230.802
where: short stacking energy: -107.668
Base-Backbone interact. energy: -0.192
local terms energy: -108.342237
where:
bonds (distance) C4'-P energy: -25.600
bonds (distance) P-C4' energy: -21.594
flat angles C4'-P-C4' energy: -17.295
flat angles P-C4'-P energy: -17.525
tors. eta vs tors. theta energy: -26.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -294.671236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.671236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.671236 (E_RNA)
where:
Base-Base interactions energy: -183.168
where: short stacking energy: -82.193
Base-Backbone interact. energy: -0.205
local terms energy: -111.298113
where:
bonds (distance) C4'-P energy: -21.464
bonds (distance) P-C4' energy: -25.643
flat angles C4'-P-C4' energy: -22.353
flat angles P-C4'-P energy: -15.262
tors. eta vs tors. theta energy: -26.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -302.048917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.048917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.048917 (E_RNA)
where:
Base-Base interactions energy: -197.455
where: short stacking energy: -82.713
Base-Backbone interact. energy: -0.367
local terms energy: -104.227155
where:
bonds (distance) C4'-P energy: -21.937
bonds (distance) P-C4' energy: -22.697
flat angles C4'-P-C4' energy: -24.326
flat angles P-C4'-P energy: -13.472
tors. eta vs tors. theta energy: -21.794
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: 8
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -271.042640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.042640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.042640 (E_RNA)
where:
Base-Base interactions energy: -170.179
where: short stacking energy: -80.349
Base-Backbone interact. energy: 0.338
local terms energy: -101.202008
where:
bonds (distance) C4'-P energy: -21.883
bonds (distance) P-C4' energy: -24.165
flat angles C4'-P-C4' energy: -22.087
flat angles P-C4'-P energy: -14.642
tors. eta vs tors. theta energy: -18.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -264.765562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.765562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.765562 (E_RNA)
where:
Base-Base interactions energy: -170.298
where: short stacking energy: -78.851
Base-Backbone interact. energy: -0.095
local terms energy: -94.371975
where:
bonds (distance) C4'-P energy: -20.444
bonds (distance) P-C4' energy: -18.257
flat angles C4'-P-C4' energy: -20.350
flat angles P-C4'-P energy: -12.403
tors. eta vs tors. theta energy: -22.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -245.255357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.255357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.255357 (E_RNA)
where:
Base-Base interactions energy: -157.964
where: short stacking energy: -60.680
Base-Backbone interact. energy: -1.137
local terms energy: -86.154017
where:
bonds (distance) C4'-P energy: -23.869
bonds (distance) P-C4' energy: -24.800
flat angles C4'-P-C4' energy: -12.245
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -15.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -237.397166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.397166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.397166 (E_RNA)
where:
Base-Base interactions energy: -143.915
where: short stacking energy: -64.678
Base-Backbone interact. energy: 1.099
local terms energy: -94.580937
where:
bonds (distance) C4'-P energy: -24.219
bonds (distance) P-C4' energy: -20.355
flat angles C4'-P-C4' energy: -20.130
flat angles P-C4'-P energy: -16.230
tors. eta vs tors. theta energy: -13.647
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: 10
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -202.330402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.330402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.330402 (E_RNA)
where:
Base-Base interactions energy: -116.958
where: short stacking energy: -54.899
Base-Backbone interact. energy: -0.395
local terms energy: -84.977125
where:
bonds (distance) C4'-P energy: -23.678
bonds (distance) P-C4' energy: -23.017
flat angles C4'-P-C4' energy: -19.294
flat angles P-C4'-P energy: -9.639
tors. eta vs tors. theta energy: -9.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -100.445844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.445844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.445844 (E_RNA)
where:
Base-Base interactions energy: -43.937
where: short stacking energy: -34.287
Base-Backbone interact. energy: -0.130
local terms energy: -56.379091
where:
bonds (distance) C4'-P energy: -20.271
bonds (distance) P-C4' energy: -23.702
flat angles C4'-P-C4' energy: -9.434
flat angles P-C4'-P energy: -1.500
tors. eta vs tors. theta energy: -1.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -373.253868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.253868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.253868 (E_RNA)
where:
Base-Base interactions energy: -253.616
where: short stacking energy: -122.324
Base-Backbone interact. energy: 0.088
local terms energy: -119.725496
where:
bonds (distance) C4'-P energy: -23.132
bonds (distance) P-C4' energy: -19.595
flat angles C4'-P-C4' energy: -23.599
flat angles P-C4'-P energy: -19.954
tors. eta vs tors. theta energy: -33.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -350.547258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.547258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.547258 (E_RNA)
where:
Base-Base interactions energy: -235.642
where: short stacking energy: -105.793
Base-Backbone interact. energy: -0.230
local terms energy: -114.674889
where:
bonds (distance) C4'-P energy: -22.388
bonds (distance) P-C4' energy: -26.723
flat angles C4'-P-C4' energy: -22.913
flat angles P-C4'-P energy: -16.135
tors. eta vs tors. theta energy: -26.516
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: 4
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -301.206305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.206305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.206305 (E_RNA)
where:
Base-Base interactions energy: -189.162
where: short stacking energy: -84.577
Base-Backbone interact. energy: -1.436
local terms energy: -110.608958
where:
bonds (distance) C4'-P energy: -22.947
bonds (distance) P-C4' energy: -21.197
flat angles C4'-P-C4' energy: -25.118
flat angles P-C4'-P energy: -15.014
tors. eta vs tors. theta energy: -26.333
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: 8
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -280.337023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.337023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.337023 (E_RNA)
where:
Base-Base interactions energy: -178.683
where: short stacking energy: -78.187
Base-Backbone interact. energy: -1.089
local terms energy: -100.564798
where:
bonds (distance) C4'-P energy: -19.412
bonds (distance) P-C4' energy: -20.759
flat angles C4'-P-C4' energy: -24.431
flat angles P-C4'-P energy: -18.035
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: 5, replica: 1
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -283.589351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.589351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.589351 (E_RNA)
where:
Base-Base interactions energy: -194.094
where: short stacking energy: -85.018
Base-Backbone interact. energy: -0.363
local terms energy: -89.132007
where:
bonds (distance) C4'-P energy: -17.601
bonds (distance) P-C4' energy: -20.516
flat angles C4'-P-C4' energy: -17.160
flat angles P-C4'-P energy: -14.895
tors. eta vs tors. theta energy: -18.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -212.088413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.088413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.088413 (E_RNA)
where:
Base-Base interactions energy: -124.744
where: short stacking energy: -54.952
Base-Backbone interact. energy: -0.293
local terms energy: -87.052166
where:
bonds (distance) C4'-P energy: -23.237
bonds (distance) P-C4' energy: -23.586
flat angles C4'-P-C4' energy: -19.118
flat angles P-C4'-P energy: -13.976
tors. eta vs tors. theta energy: -7.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -258.779179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.779179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.779179 (E_RNA)
where:
Base-Base interactions energy: -164.768
where: short stacking energy: -74.931
Base-Backbone interact. energy: 0.450
local terms energy: -94.461161
where:
bonds (distance) C4'-P energy: -21.143
bonds (distance) P-C4' energy: -20.670
flat angles C4'-P-C4' energy: -22.869
flat angles P-C4'-P energy: -12.897
tors. eta vs tors. theta energy: -16.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -242.678473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.678473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.678473 (E_RNA)
where:
Base-Base interactions energy: -162.119
where: short stacking energy: -61.320
Base-Backbone interact. energy: -0.043
local terms energy: -80.516200
where:
bonds (distance) C4'-P energy: -8.431
bonds (distance) P-C4' energy: -21.721
flat angles C4'-P-C4' energy: -17.022
flat angles P-C4'-P energy: -16.756
tors. eta vs tors. theta energy: -16.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -192.485727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.485727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.485727 (E_RNA)
where:
Base-Base interactions energy: -115.475
where: short stacking energy: -57.289
Base-Backbone interact. energy: 0.121
local terms energy: -77.131940
where:
bonds (distance) C4'-P energy: -19.095
bonds (distance) P-C4' energy: -17.114
flat angles C4'-P-C4' energy: -14.295
flat angles P-C4'-P energy: -14.316
tors. eta vs tors. theta energy: -12.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -106.168905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.168905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.168905 (E_RNA)
where:
Base-Base interactions energy: -38.874
where: short stacking energy: -40.072
Base-Backbone interact. energy: -0.080
local terms energy: -67.214755
where:
bonds (distance) C4'-P energy: -20.277
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -14.295
flat angles P-C4'-P energy: -12.040
tors. eta vs tors. theta energy: -3.397
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: 418
Temperature: 0.900000
Total energy: -368.321419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.321419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.321419 (E_RNA)
where:
Base-Base interactions energy: -242.450
where: short stacking energy: -111.674
Base-Backbone interact. energy: -0.071
local terms energy: -125.800480
where:
bonds (distance) C4'-P energy: -21.379
bonds (distance) P-C4' energy: -25.116
flat angles C4'-P-C4' energy: -25.665
flat angles P-C4'-P energy: -19.684
tors. eta vs tors. theta energy: -33.956
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: 7
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -339.748649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.748649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.748649 (E_RNA)
where:
Base-Base interactions energy: -233.492
where: short stacking energy: -93.077
Base-Backbone interact. energy: -0.866
local terms energy: -105.391005
where:
bonds (distance) C4'-P energy: -23.554
bonds (distance) P-C4' energy: -22.408
flat angles C4'-P-C4' energy: -19.159
flat angles P-C4'-P energy: -16.691
tors. eta vs tors. theta energy: -23.579
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: 4
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -303.211241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.211241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.211241 (E_RNA)
where:
Base-Base interactions energy: -198.201
where: short stacking energy: -88.412
Base-Backbone interact. energy: -0.002
local terms energy: -105.008371
where:
bonds (distance) C4'-P energy: -21.592
bonds (distance) P-C4' energy: -19.196
flat angles C4'-P-C4' energy: -18.748
flat angles P-C4'-P energy: -16.073
tors. eta vs tors. theta energy: -29.399
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: 4, replica: 8
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -291.553489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.553489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.553489 (E_RNA)
where:
Base-Base interactions energy: -195.471
where: short stacking energy: -81.325
Base-Backbone interact. energy: -0.979
local terms energy: -95.103536
where:
bonds (distance) C4'-P energy: -20.952
bonds (distance) P-C4' energy: -18.302
flat angles C4'-P-C4' energy: -22.249
flat angles P-C4'-P energy: -17.222
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: 1
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -272.579121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.579121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.579121 (E_RNA)
where:
Base-Base interactions energy: -179.615
where: short stacking energy: -71.567
Base-Backbone interact. energy: -0.287
local terms energy: -92.677546
where:
bonds (distance) C4'-P energy: -25.084
bonds (distance) P-C4' energy: -18.519
flat angles C4'-P-C4' energy: -18.138
flat angles P-C4'-P energy: -13.349
tors. eta vs tors. theta energy: -17.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -209.984247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.984247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.984247 (E_RNA)
where:
Base-Base interactions energy: -122.293
where: short stacking energy: -67.624
Base-Backbone interact. energy: 0.062
local terms energy: -87.753893
where:
bonds (distance) C4'-P energy: -22.272
bonds (distance) P-C4' energy: -22.183
flat angles C4'-P-C4' energy: -18.954
flat angles P-C4'-P energy: -11.704
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: 7, replica: 9
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -240.519489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.519489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.519489 (E_RNA)
where:
Base-Base interactions energy: -141.195
where: short stacking energy: -63.044
Base-Backbone interact. energy: -0.289
local terms energy: -99.034930
where:
bonds (distance) C4'-P energy: -20.987
bonds (distance) P-C4' energy: -20.915
flat angles C4'-P-C4' energy: -20.446
flat angles P-C4'-P energy: -18.365
tors. eta vs tors. theta energy: -18.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -255.280167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.280167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.280167 (E_RNA)
where:
Base-Base interactions energy: -166.094
where: short stacking energy: -73.456
Base-Backbone interact. energy: -0.321
local terms energy: -88.864882
where:
bonds (distance) C4'-P energy: -21.502
bonds (distance) P-C4' energy: -21.099
flat angles C4'-P-C4' energy: -20.122
flat angles P-C4'-P energy: -10.578
tors. eta vs tors. theta energy: -15.563
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: 10
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -201.228812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.228812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.228812 (E_RNA)
where:
Base-Base interactions energy: -117.327
where: short stacking energy: -49.167
Base-Backbone interact. energy: -0.119
local terms energy: -83.782751
where:
bonds (distance) C4'-P energy: -20.434
bonds (distance) P-C4' energy: -22.567
flat angles C4'-P-C4' energy: -19.211
flat angles P-C4'-P energy: -12.370
tors. eta vs tors. theta energy: -9.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -110.329001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.329001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.329001 (E_RNA)
where:
Base-Base interactions energy: -42.433
where: short stacking energy: -35.254
Base-Backbone interact. energy: -0.121
local terms energy: -67.774306
where:
bonds (distance) C4'-P energy: -18.040
bonds (distance) P-C4' energy: -17.726
flat angles C4'-P-C4' energy: -21.087
flat angles P-C4'-P energy: -7.958
tors. eta vs tors. theta energy: -2.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -366.644517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.644517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.644517 (E_RNA)
where:
Base-Base interactions energy: -258.142
where: short stacking energy: -112.123
Base-Backbone interact. energy: -0.021
local terms energy: -108.481277
where:
bonds (distance) C4'-P energy: -19.907
bonds (distance) P-C4' energy: -20.043
flat angles C4'-P-C4' energy: -23.293
flat angles P-C4'-P energy: -11.704
tors. eta vs tors. theta energy: -33.534
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: 4
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -336.533377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.533377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.533377 (E_RNA)
where:
Base-Base interactions energy: -220.174
where: short stacking energy: -102.369
Base-Backbone interact. energy: -0.117
local terms energy: -116.241852
where:
bonds (distance) C4'-P energy: -23.190
bonds (distance) P-C4' energy: -21.479
flat angles C4'-P-C4' energy: -21.836
flat angles P-C4'-P energy: -18.305
tors. eta vs tors. theta energy: -31.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -327.732462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.732462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.732462 (E_RNA)
where:
Base-Base interactions energy: -219.986
where: short stacking energy: -87.486
Base-Backbone interact. energy: -0.284
local terms energy: -107.462646
where:
bonds (distance) C4'-P energy: -22.873
bonds (distance) P-C4' energy: -21.179
flat angles C4'-P-C4' energy: -24.852
flat angles P-C4'-P energy: -17.849
tors. eta vs tors. theta energy: -20.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -285.365835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.365835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.365835 (E_RNA)
where:
Base-Base interactions energy: -190.551
where: short stacking energy: -71.595
Base-Backbone interact. energy: -0.554
local terms energy: -94.261046
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -21.449
flat angles C4'-P-C4' energy: -24.603
flat angles P-C4'-P energy: -20.067
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: 5, replica: 1
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -268.953613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.953613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.953613 (E_RNA)
where:
Base-Base interactions energy: -183.482
where: short stacking energy: -74.987
Base-Backbone interact. energy: 0.969
local terms energy: -86.441559
where:
bonds (distance) C4'-P energy: -17.866
bonds (distance) P-C4' energy: -17.137
flat angles C4'-P-C4' energy: -19.647
flat angles P-C4'-P energy: -15.185
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: 6, replica: 9
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -250.305234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.305234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.305234 (E_RNA)
where:
Base-Base interactions energy: -157.043
where: short stacking energy: -71.302
Base-Backbone interact. energy: -1.225
local terms energy: -92.037079
where:
bonds (distance) C4'-P energy: -21.175
bonds (distance) P-C4' energy: -19.961
flat angles C4'-P-C4' energy: -22.387
flat angles P-C4'-P energy: -9.875
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: 7, replica: 6
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -211.489473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.489473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.489473 (E_RNA)
where:
Base-Base interactions energy: -123.752
where: short stacking energy: -59.375
Base-Backbone interact. energy: -0.203
local terms energy: -87.534336
where:
bonds (distance) C4'-P energy: -23.269
bonds (distance) P-C4' energy: -26.689
flat angles C4'-P-C4' energy: -25.662
flat angles P-C4'-P energy: -5.466
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: 8, replica: 3
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -255.500555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.500555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.500555 (E_RNA)
where:
Base-Base interactions energy: -172.284
where: short stacking energy: -65.746
Base-Backbone interact. energy: -1.509
local terms energy: -81.707454
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -21.036
flat angles C4'-P-C4' energy: -19.676
flat angles P-C4'-P energy: -11.620
tors. eta vs tors. theta energy: -12.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -196.411119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.411119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.411119 (E_RNA)
where:
Base-Base interactions energy: -116.015
where: short stacking energy: -57.691
Base-Backbone interact. energy: -0.265
local terms energy: -80.130950
where:
bonds (distance) C4'-P energy: -19.168
bonds (distance) P-C4' energy: -19.810
flat angles C4'-P-C4' energy: -17.301
flat angles P-C4'-P energy: -15.144
tors. eta vs tors. theta energy: -8.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -114.219671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.219671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.219671 (E_RNA)
where:
Base-Base interactions energy: -44.374
where: short stacking energy: -43.433
Base-Backbone interact. energy: -0.113
local terms energy: -69.733122
where:
bonds (distance) C4'-P energy: -19.212
bonds (distance) P-C4' energy: -14.780
flat angles C4'-P-C4' energy: -21.308
flat angles P-C4'-P energy: -9.164
tors. eta vs tors. theta energy: -5.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -370.419642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.419642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.419642 (E_RNA)
where:
Base-Base interactions energy: -251.882
where: short stacking energy: -106.892
Base-Backbone interact. energy: -0.142
local terms energy: -118.395597
where:
bonds (distance) C4'-P energy: -20.099
bonds (distance) P-C4' energy: -21.867
flat angles C4'-P-C4' energy: -25.970
flat angles P-C4'-P energy: -16.968
tors. eta vs tors. theta energy: -33.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -335.884750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.884750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.884750 (E_RNA)
where:
Base-Base interactions energy: -232.822
where: short stacking energy: -90.372
Base-Backbone interact. energy: 0.678
local terms energy: -103.741330
where:
bonds (distance) C4'-P energy: -20.716
bonds (distance) P-C4' energy: -23.035
flat angles C4'-P-C4' energy: -19.736
flat angles P-C4'-P energy: -13.892
tors. eta vs tors. theta energy: -26.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -339.528525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.528525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.528525 (E_RNA)
where:
Base-Base interactions energy: -227.246
where: short stacking energy: -107.275
Base-Backbone interact. energy: -0.270
local terms energy: -112.012570
where:
bonds (distance) C4'-P energy: -20.707
bonds (distance) P-C4' energy: -25.084
flat angles C4'-P-C4' energy: -26.488
flat angles P-C4'-P energy: -12.888
tors. eta vs tors. theta energy: -26.846
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: 8
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -301.090213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.090213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.090213 (E_RNA)
where:
Base-Base interactions energy: -196.914
where: short stacking energy: -77.681
Base-Backbone interact. energy: -0.680
local terms energy: -103.496322
where:
bonds (distance) C4'-P energy: -16.835
bonds (distance) P-C4' energy: -26.011
flat angles C4'-P-C4' energy: -20.038
flat angles P-C4'-P energy: -19.518
tors. eta vs tors. theta energy: -21.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -263.873329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.873329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.873329 (E_RNA)
where:
Base-Base interactions energy: -166.158
where: short stacking energy: -76.806
Base-Backbone interact. energy: -0.593
local terms energy: -97.122426
where:
bonds (distance) C4'-P energy: -22.778
bonds (distance) P-C4' energy: -22.878
flat angles C4'-P-C4' energy: -18.100
flat angles P-C4'-P energy: -14.363
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: 6, replica: 9
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -270.817869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.817869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.817869 (E_RNA)
where:
Base-Base interactions energy: -195.258
where: short stacking energy: -79.550
Base-Backbone interact. energy: -2.134
local terms energy: -73.425905
where:
bonds (distance) C4'-P energy: -20.289
bonds (distance) P-C4' energy: -13.807
flat angles C4'-P-C4' energy: -13.710
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -16.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -242.229879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.229879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.229879 (E_RNA)
where:
Base-Base interactions energy: -140.684
where: short stacking energy: -69.425
Base-Backbone interact. energy: -0.096
local terms energy: -101.449350
where:
bonds (distance) C4'-P energy: -21.002
bonds (distance) P-C4' energy: -22.527
flat angles C4'-P-C4' energy: -21.690
flat angles P-C4'-P energy: -16.389
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: 8, replica: 6
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -224.788911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.788911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.788911 (E_RNA)
where:
Base-Base interactions energy: -143.153
where: short stacking energy: -67.968
Base-Backbone interact. energy: -0.064
local terms energy: -81.572554
where:
bonds (distance) C4'-P energy: -17.312
bonds (distance) P-C4' energy: -17.899
flat angles C4'-P-C4' energy: -22.362
flat angles P-C4'-P energy: -16.224
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: 9, replica: 10
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -197.154119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.154119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.154119 (E_RNA)
where:
Base-Base interactions energy: -119.664
where: short stacking energy: -60.193
Base-Backbone interact. energy: -0.286
local terms energy: -77.203908
where:
bonds (distance) C4'-P energy: -18.256
bonds (distance) P-C4' energy: -21.868
flat angles C4'-P-C4' energy: -18.808
flat angles P-C4'-P energy: -9.610
tors. eta vs tors. theta energy: -8.662
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: 2
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -105.860728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.860728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.860728 (E_RNA)
where:
Base-Base interactions energy: -33.976
where: short stacking energy: -30.248
Base-Backbone interact. energy: 0.543
local terms energy: -72.427749
where:
bonds (distance) C4'-P energy: -26.217
bonds (distance) P-C4' energy: -24.670
flat angles C4'-P-C4' energy: -11.859
flat angles P-C4'-P energy: -7.938
tors. eta vs tors. theta energy: -1.744
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: 5
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -374.323421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.323421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.323421 (E_RNA)
where:
Base-Base interactions energy: -253.170
where: short stacking energy: -109.958
Base-Backbone interact. energy: -0.153
local terms energy: -120.999655
where:
bonds (distance) C4'-P energy: -20.604
bonds (distance) P-C4' energy: -27.057
flat angles C4'-P-C4' energy: -23.537
flat angles P-C4'-P energy: -16.156
tors. eta vs tors. theta energy: -33.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -344.031865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.031865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.031865 (E_RNA)
where:
Base-Base interactions energy: -238.993
where: short stacking energy: -106.790
Base-Backbone interact. energy: -0.149
local terms energy: -104.889273
where:
bonds (distance) C4'-P energy: -18.410
bonds (distance) P-C4' energy: -21.538
flat angles C4'-P-C4' energy: -25.450
flat angles P-C4'-P energy: -12.484
tors. eta vs tors. theta energy: -27.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -347.266259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.266259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.266259 (E_RNA)
where:
Base-Base interactions energy: -228.761
where: short stacking energy: -102.356
Base-Backbone interact. energy: 0.276
local terms energy: -118.781779
where:
bonds (distance) C4'-P energy: -23.846
bonds (distance) P-C4' energy: -22.306
flat angles C4'-P-C4' energy: -19.872
flat angles P-C4'-P energy: -16.782
tors. eta vs tors. theta energy: -35.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -306.388204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.388204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.388204 (E_RNA)
where:
Base-Base interactions energy: -198.556
where: short stacking energy: -93.305
Base-Backbone interact. energy: -2.177
local terms energy: -105.655820
where:
bonds (distance) C4'-P energy: -19.249
bonds (distance) P-C4' energy: -23.549
flat angles C4'-P-C4' energy: -23.439
flat angles P-C4'-P energy: -18.317
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: 5, replica: 1
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -270.282347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.282347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.282347 (E_RNA)
where:
Base-Base interactions energy: -177.955
where: short stacking energy: -73.712
Base-Backbone interact. energy: -0.254
local terms energy: -92.073939
where:
bonds (distance) C4'-P energy: -20.347
bonds (distance) P-C4' energy: -22.662
flat angles C4'-P-C4' energy: -19.493
flat angles P-C4'-P energy: -14.312
tors. eta vs tors. theta energy: -15.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -235.181995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.181995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.181995 (E_RNA)
where:
Base-Base interactions energy: -136.482
where: short stacking energy: -60.296
Base-Backbone interact. energy: -0.953
local terms energy: -97.747401
where:
bonds (distance) C4'-P energy: -21.178
bonds (distance) P-C4' energy: -25.611
flat angles C4'-P-C4' energy: -22.429
flat angles P-C4'-P energy: -13.383
tors. eta vs tors. theta energy: -15.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -237.745176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.745176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.745176 (E_RNA)
where:
Base-Base interactions energy: -145.629
where: short stacking energy: -77.300
Base-Backbone interact. energy: -0.445
local terms energy: -91.671955
where:
bonds (distance) C4'-P energy: -18.584
bonds (distance) P-C4' energy: -22.027
flat angles C4'-P-C4' energy: -23.268
flat angles P-C4'-P energy: -12.282
tors. eta vs tors. theta energy: -15.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -239.784476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.784476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.784476 (E_RNA)
where:
Base-Base interactions energy: -152.990
where: short stacking energy: -76.940
Base-Backbone interact. energy: -0.260
local terms energy: -86.534402
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -17.793
flat angles C4'-P-C4' energy: -15.010
flat angles P-C4'-P energy: -18.575
tors. eta vs tors. theta energy: -20.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -193.567431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.567431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.567431 (E_RNA)
where:
Base-Base interactions energy: -111.351
where: short stacking energy: -53.382
Base-Backbone interact. energy: -0.374
local terms energy: -81.841980
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -23.905
flat angles C4'-P-C4' energy: -21.511
flat angles P-C4'-P energy: -13.738
tors. eta vs tors. theta energy: -6.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -103.074680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.074680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.074680 (E_RNA)
where:
Base-Base interactions energy: -40.570
where: short stacking energy: -38.355
Base-Backbone interact. energy: -0.365
local terms energy: -62.139351
where:
bonds (distance) C4'-P energy: -17.627
bonds (distance) P-C4' energy: -17.959
flat angles C4'-P-C4' energy: -15.209
flat angles P-C4'-P energy: -11.697
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: 5
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -373.953065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.953065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.953065 (E_RNA)
where:
Base-Base interactions energy: -249.546
where: short stacking energy: -104.834
Base-Backbone interact. energy: -0.407
local terms energy: -123.999780
where:
bonds (distance) C4'-P energy: -25.982
bonds (distance) P-C4' energy: -22.738
flat angles C4'-P-C4' energy: -28.513
flat angles P-C4'-P energy: -14.818
tors. eta vs tors. theta energy: -31.949
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: 7
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -346.602032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.602032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.602032 (E_RNA)
where:
Base-Base interactions energy: -227.446
where: short stacking energy: -101.996
Base-Backbone interact. energy: -3.340
local terms energy: -115.816517
where:
bonds (distance) C4'-P energy: -19.418
bonds (distance) P-C4' energy: -20.543
flat angles C4'-P-C4' energy: -24.743
flat angles P-C4'-P energy: -18.749
tors. eta vs tors. theta energy: -32.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -340.185569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.185569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.185569 (E_RNA)
where:
Base-Base interactions energy: -225.070
where: short stacking energy: -99.706
Base-Backbone interact. energy: 0.807
local terms energy: -115.922180
where:
bonds (distance) C4'-P energy: -22.773
bonds (distance) P-C4' energy: -19.911
flat angles C4'-P-C4' energy: -24.062
flat angles P-C4'-P energy: -18.665
tors. eta vs tors. theta energy: -30.511
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: 422
Temperature: 1.050000
Total energy: -291.619837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.619837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.619837 (E_RNA)
where:
Base-Base interactions energy: -192.650
where: short stacking energy: -77.333
Base-Backbone interact. energy: -0.202
local terms energy: -98.767783
where:
bonds (distance) C4'-P energy: -20.045
bonds (distance) P-C4' energy: -25.375
flat angles C4'-P-C4' energy: -19.583
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -22.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -274.566522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.566522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.566522 (E_RNA)
where:
Base-Base interactions energy: -174.799
where: short stacking energy: -76.004
Base-Backbone interact. energy: 0.219
local terms energy: -99.986001
where:
bonds (distance) C4'-P energy: -21.767
bonds (distance) P-C4' energy: -21.799
flat angles C4'-P-C4' energy: -21.452
flat angles P-C4'-P energy: -16.880
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: 6, replica: 1
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -268.534718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.534718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.534718 (E_RNA)
where:
Base-Base interactions energy: -174.117
where: short stacking energy: -69.247
Base-Backbone interact. energy: -0.150
local terms energy: -94.268332
where:
bonds (distance) C4'-P energy: -18.396
bonds (distance) P-C4' energy: -19.121
flat angles C4'-P-C4' energy: -22.276
flat angles P-C4'-P energy: -16.183
tors. eta vs tors. theta energy: -18.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -251.679134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.679134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.679134 (E_RNA)
where:
Base-Base interactions energy: -158.789
where: short stacking energy: -72.248
Base-Backbone interact. energy: -0.186
local terms energy: -92.704451
where:
bonds (distance) C4'-P energy: -20.774
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -23.148
flat angles P-C4'-P energy: -16.428
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: 8, replica: 3
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -234.831508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.831508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.831508 (E_RNA)
where:
Base-Base interactions energy: -141.448
where: short stacking energy: -64.613
Base-Backbone interact. energy: -0.614
local terms energy: -92.769090
where:
bonds (distance) C4'-P energy: -17.847
bonds (distance) P-C4' energy: -23.166
flat angles C4'-P-C4' energy: -23.757
flat angles P-C4'-P energy: -12.922
tors. eta vs tors. theta energy: -15.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -212.867414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.867414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.867414 (E_RNA)
where:
Base-Base interactions energy: -129.609
where: short stacking energy: -60.219
Base-Backbone interact. energy: -0.140
local terms energy: -83.119142
where:
bonds (distance) C4'-P energy: -18.959
bonds (distance) P-C4' energy: -22.522
flat angles C4'-P-C4' energy: -18.724
flat angles P-C4'-P energy: -12.271
tors. eta vs tors. theta energy: -10.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -109.292820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.292820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.292820 (E_RNA)
where:
Base-Base interactions energy: -48.614
where: short stacking energy: -28.728
Base-Backbone interact. energy: -0.303
local terms energy: -60.375279
where:
bonds (distance) C4'-P energy: -17.072
bonds (distance) P-C4' energy: -19.283
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -8.981
tors. eta vs tors. theta energy: -0.985
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: 5
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -368.587050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.587050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.587050 (E_RNA)
where:
Base-Base interactions energy: -246.243
where: short stacking energy: -110.314
Base-Backbone interact. energy: 0.048
local terms energy: -122.391973
where:
bonds (distance) C4'-P energy: -23.319
bonds (distance) P-C4' energy: -24.415
flat angles C4'-P-C4' energy: -27.806
flat angles P-C4'-P energy: -13.122
tors. eta vs tors. theta energy: -33.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -334.500072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.500072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.500072 (E_RNA)
where:
Base-Base interactions energy: -223.148
where: short stacking energy: -106.631
Base-Backbone interact. energy: -0.367
local terms energy: -110.985741
where:
bonds (distance) C4'-P energy: -22.007
bonds (distance) P-C4' energy: -23.041
flat angles C4'-P-C4' energy: -23.280
flat angles P-C4'-P energy: -12.114
tors. eta vs tors. theta energy: -30.544
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: 7
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -335.415277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.415277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.415277 (E_RNA)
where:
Base-Base interactions energy: -228.525
where: short stacking energy: -103.141
Base-Backbone interact. energy: -1.281
local terms energy: -105.609638
where:
bonds (distance) C4'-P energy: -22.524
bonds (distance) P-C4' energy: -24.108
flat angles C4'-P-C4' energy: -20.688
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: -28.473
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: 423
Temperature: 1.050000
Total energy: -308.933425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.933425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.933425 (E_RNA)
where:
Base-Base interactions energy: -203.215
where: short stacking energy: -96.628
Base-Backbone interact. energy: -0.538
local terms energy: -105.180629
where:
bonds (distance) C4'-P energy: -19.677
bonds (distance) P-C4' energy: -23.052
flat angles C4'-P-C4' energy: -20.791
flat angles P-C4'-P energy: -16.721
tors. eta vs tors. theta energy: -24.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -258.104172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.104172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.104172 (E_RNA)
where:
Base-Base interactions energy: -167.743
where: short stacking energy: -78.628
Base-Backbone interact. energy: -0.078
local terms energy: -90.283061
where:
bonds (distance) C4'-P energy: -18.975
bonds (distance) P-C4' energy: -24.376
flat angles C4'-P-C4' energy: -24.022
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -11.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -266.563253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.563253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.563253 (E_RNA)
where:
Base-Base interactions energy: -176.664
where: short stacking energy: -56.708
Base-Backbone interact. energy: -0.326
local terms energy: -89.573475
where:
bonds (distance) C4'-P energy: -17.992
bonds (distance) P-C4' energy: -20.769
flat angles C4'-P-C4' energy: -25.189
flat angles P-C4'-P energy: -14.675
tors. eta vs tors. theta energy: -10.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -256.724419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.724419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.724419 (E_RNA)
where:
Base-Base interactions energy: -163.283
where: short stacking energy: -77.256
Base-Backbone interact. energy: -0.795
local terms energy: -92.646825
where:
bonds (distance) C4'-P energy: -18.629
bonds (distance) P-C4' energy: -21.241
flat angles C4'-P-C4' energy: -19.839
flat angles P-C4'-P energy: -14.386
tors. eta vs tors. theta energy: -18.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -259.959625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.959625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.959625 (E_RNA)
where:
Base-Base interactions energy: -172.748
where: short stacking energy: -83.966
Base-Backbone interact. energy: 0.734
local terms energy: -87.945018
where:
bonds (distance) C4'-P energy: -16.096
bonds (distance) P-C4' energy: -18.503
flat angles C4'-P-C4' energy: -22.361
flat angles P-C4'-P energy: -12.449
tors. eta vs tors. theta energy: -18.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -228.737482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.737482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.737482 (E_RNA)
where:
Base-Base interactions energy: -147.690
where: short stacking energy: -61.782
Base-Backbone interact. energy: 2.797
local terms energy: -83.844434
where:
bonds (distance) C4'-P energy: -17.309
bonds (distance) P-C4' energy: -21.547
flat angles C4'-P-C4' energy: -22.373
flat angles P-C4'-P energy: -12.399
tors. eta vs tors. theta energy: -10.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -111.328917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.328917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.328917 (E_RNA)
where:
Base-Base interactions energy: -43.719
where: short stacking energy: -34.362
Base-Backbone interact. energy: 1.391
local terms energy: -69.000450
where:
bonds (distance) C4'-P energy: -21.004
bonds (distance) P-C4' energy: -12.129
flat angles C4'-P-C4' energy: -20.846
flat angles P-C4'-P energy: -14.594
tors. eta vs tors. theta energy: -0.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -370.404614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.404614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.404614 (E_RNA)
where:
Base-Base interactions energy: -249.114
where: short stacking energy: -113.175
Base-Backbone interact. energy: -0.133
local terms energy: -121.156875
where:
bonds (distance) C4'-P energy: -22.931
bonds (distance) P-C4' energy: -24.058
flat angles C4'-P-C4' energy: -26.120
flat angles P-C4'-P energy: -15.982
tors. eta vs tors. theta energy: -32.067
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: 4
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -338.117356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.117356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.117356 (E_RNA)
where:
Base-Base interactions energy: -225.720
where: short stacking energy: -108.226
Base-Backbone interact. energy: 0.337
local terms energy: -112.734375
where:
bonds (distance) C4'-P energy: -18.392
bonds (distance) P-C4' energy: -22.203
flat angles C4'-P-C4' energy: -26.263
flat angles P-C4'-P energy: -13.165
tors. eta vs tors. theta energy: -32.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -314.053806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.053806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.053806 (E_RNA)
where:
Base-Base interactions energy: -208.238
where: short stacking energy: -95.230
Base-Backbone interact. energy: -0.067
local terms energy: -105.748193
where:
bonds (distance) C4'-P energy: -22.838
bonds (distance) P-C4' energy: -23.099
flat angles C4'-P-C4' energy: -20.777
flat angles P-C4'-P energy: -14.483
tors. eta vs tors. theta energy: -24.552
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: 424
Temperature: 1.050000
Total energy: -326.449313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.449313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.449313 (E_RNA)
where:
Base-Base interactions energy: -224.623
where: short stacking energy: -89.491
Base-Backbone interact. energy: -0.219
local terms energy: -101.607090
where:
bonds (distance) C4'-P energy: -21.830
bonds (distance) P-C4' energy: -17.606
flat angles C4'-P-C4' energy: -23.209
flat angles P-C4'-P energy: -17.965
tors. eta vs tors. theta energy: -20.997
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: 5, replica: 9
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -265.291838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.291838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.291838 (E_RNA)
where:
Base-Base interactions energy: -169.701
where: short stacking energy: -71.552
Base-Backbone interact. energy: -0.053
local terms energy: -95.537763
where:
bonds (distance) C4'-P energy: -18.720
bonds (distance) P-C4' energy: -25.378
flat angles C4'-P-C4' energy: -23.935
flat angles P-C4'-P energy: -14.429
tors. eta vs tors. theta energy: -13.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -248.634781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.634781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.634781 (E_RNA)
where:
Base-Base interactions energy: -151.281
where: short stacking energy: -76.349
Base-Backbone interact. energy: -0.163
local terms energy: -97.190956
where:
bonds (distance) C4'-P energy: -25.497
bonds (distance) P-C4' energy: -19.110
flat angles C4'-P-C4' energy: -20.936
flat angles P-C4'-P energy: -11.283
tors. eta vs tors. theta energy: -20.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -258.222899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.222899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.222899 (E_RNA)
where:
Base-Base interactions energy: -162.595
where: short stacking energy: -74.303
Base-Backbone interact. energy: -0.495
local terms energy: -95.133603
where:
bonds (distance) C4'-P energy: -20.130
bonds (distance) P-C4' energy: -19.896
flat angles C4'-P-C4' energy: -18.937
flat angles P-C4'-P energy: -16.766
tors. eta vs tors. theta energy: -19.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -254.931978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.931978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.931978 (E_RNA)
where:
Base-Base interactions energy: -154.767
where: short stacking energy: -76.284
Base-Backbone interact. energy: -0.195
local terms energy: -99.969120
where:
bonds (distance) C4'-P energy: -20.906
bonds (distance) P-C4' energy: -20.772
flat angles C4'-P-C4' energy: -21.507
flat angles P-C4'-P energy: -15.714
tors. eta vs tors. theta energy: -21.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -209.521230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.521230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.521230 (E_RNA)
where:
Base-Base interactions energy: -133.492
where: short stacking energy: -58.885
Base-Backbone interact. energy: -0.132
local terms energy: -75.897112
where:
bonds (distance) C4'-P energy: -16.347
bonds (distance) P-C4' energy: -19.304
flat angles C4'-P-C4' energy: -18.626
flat angles P-C4'-P energy: -9.939
tors. eta vs tors. theta energy: -11.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -111.203469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.203469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.203469 (E_RNA)
where:
Base-Base interactions energy: -53.133
where: short stacking energy: -38.119
Base-Backbone interact. energy: -0.155
local terms energy: -57.915527
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -24.620
flat angles C4'-P-C4' energy: -15.204
flat angles P-C4'-P energy: -4.911
tors. eta vs tors. theta energy: 2.669
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: 5
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -372.998781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.998781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.998781 (E_RNA)
where:
Base-Base interactions energy: -252.807
where: short stacking energy: -112.791
Base-Backbone interact. energy: -0.008
local terms energy: -120.184468
where:
bonds (distance) C4'-P energy: -21.735
bonds (distance) P-C4' energy: -23.890
flat angles C4'-P-C4' energy: -23.491
flat angles P-C4'-P energy: -15.080
tors. eta vs tors. theta energy: -35.988
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: 2, replica: 8
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -334.399863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.399863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.399863 (E_RNA)
where:
Base-Base interactions energy: -223.146
where: short stacking energy: -88.339
Base-Backbone interact. energy: -2.972
local terms energy: -108.282027
where:
bonds (distance) C4'-P energy: -21.531
bonds (distance) P-C4' energy: -21.493
flat angles C4'-P-C4' energy: -25.066
flat angles P-C4'-P energy: -18.517
tors. eta vs tors. theta energy: -21.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -340.698057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.698057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.698057 (E_RNA)
where:
Base-Base interactions energy: -229.740
where: short stacking energy: -96.652
Base-Backbone interact. energy: -0.263
local terms energy: -110.695186
where:
bonds (distance) C4'-P energy: -25.017
bonds (distance) P-C4' energy: -19.506
flat angles C4'-P-C4' energy: -22.956
flat angles P-C4'-P energy: -15.844
tors. eta vs tors. theta energy: -27.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -320.540342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.540342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.540342 (E_RNA)
where:
Base-Base interactions energy: -222.582
where: short stacking energy: -92.803
Base-Backbone interact. energy: -0.505
local terms energy: -97.453201
where:
bonds (distance) C4'-P energy: -18.619
bonds (distance) P-C4' energy: -23.555
flat angles C4'-P-C4' energy: -20.496
flat angles P-C4'-P energy: -15.340
tors. eta vs tors. theta energy: -19.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -275.900456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.900456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.900456 (E_RNA)
where:
Base-Base interactions energy: -171.875
where: short stacking energy: -82.105
Base-Backbone interact. energy: -0.668
local terms energy: -103.356708
where:
bonds (distance) C4'-P energy: -18.762
bonds (distance) P-C4' energy: -21.304
flat angles C4'-P-C4' energy: -20.968
flat angles P-C4'-P energy: -19.662
tors. eta vs tors. theta energy: -22.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -264.754593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.754593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.754593 (E_RNA)
where:
Base-Base interactions energy: -162.568
where: short stacking energy: -75.059
Base-Backbone interact. energy: -1.408
local terms energy: -100.778560
where:
bonds (distance) C4'-P energy: -24.118
bonds (distance) P-C4' energy: -21.734
flat angles C4'-P-C4' energy: -23.454
flat angles P-C4'-P energy: -10.608
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: 7, replica: 3
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -263.014817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.014817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.014817 (E_RNA)
where:
Base-Base interactions energy: -164.093
where: short stacking energy: -73.570
Base-Backbone interact. energy: -0.242
local terms energy: -98.679771
where:
bonds (distance) C4'-P energy: -21.745
bonds (distance) P-C4' energy: -22.163
flat angles C4'-P-C4' energy: -23.289
flat angles P-C4'-P energy: -14.249
tors. eta vs tors. theta energy: -17.234
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: 8, replica: 1
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -216.443963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.443963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.443963 (E_RNA)
where:
Base-Base interactions energy: -131.130
where: short stacking energy: -50.907
Base-Backbone interact. energy: -0.096
local terms energy: -85.217030
where:
bonds (distance) C4'-P energy: -20.236
bonds (distance) P-C4' energy: -25.089
flat angles C4'-P-C4' energy: -20.275
flat angles P-C4'-P energy: -12.827
tors. eta vs tors. theta energy: -6.791
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: 6
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -203.673101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.673101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.673101 (E_RNA)
where:
Base-Base interactions energy: -122.698
where: short stacking energy: -60.651
Base-Backbone interact. energy: 0.561
local terms energy: -81.536217
where:
bonds (distance) C4'-P energy: -22.096
bonds (distance) P-C4' energy: -16.284
flat angles C4'-P-C4' energy: -19.778
flat angles P-C4'-P energy: -13.949
tors. eta vs tors. theta energy: -9.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -108.721953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.721953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.721953 (E_RNA)
where:
Base-Base interactions energy: -41.241
where: short stacking energy: -39.276
Base-Backbone interact. energy: -0.152
local terms energy: -67.328544
where:
bonds (distance) C4'-P energy: -21.489
bonds (distance) P-C4' energy: -18.531
flat angles C4'-P-C4' energy: -17.827
flat angles P-C4'-P energy: -6.891
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: 1, replica: 5
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -371.880431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.880431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.880431 (E_RNA)
where:
Base-Base interactions energy: -254.870
where: short stacking energy: -117.427
Base-Backbone interact. energy: -0.016
local terms energy: -116.994925
where:
bonds (distance) C4'-P energy: -19.251
bonds (distance) P-C4' energy: -17.546
flat angles C4'-P-C4' energy: -28.427
flat angles P-C4'-P energy: -15.400
tors. eta vs tors. theta energy: -36.371
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: 8
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -324.551472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.551472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.551472 (E_RNA)
where:
Base-Base interactions energy: -219.619
where: short stacking energy: -102.166
Base-Backbone interact. energy: -0.923
local terms energy: -104.008972
where:
bonds (distance) C4'-P energy: -23.652
bonds (distance) P-C4' energy: -20.113
flat angles C4'-P-C4' energy: -17.078
flat angles P-C4'-P energy: -14.518
tors. eta vs tors. theta energy: -28.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -354.695485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.695485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.695485 (E_RNA)
where:
Base-Base interactions energy: -240.156
where: short stacking energy: -102.693
Base-Backbone interact. energy: -0.282
local terms energy: -114.257568
where:
bonds (distance) C4'-P energy: -21.993
bonds (distance) P-C4' energy: -19.393
flat angles C4'-P-C4' energy: -22.457
flat angles P-C4'-P energy: -17.564
tors. eta vs tors. theta energy: -32.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -318.123149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.123149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.123149 (E_RNA)
where:
Base-Base interactions energy: -213.934
where: short stacking energy: -95.646
Base-Backbone interact. energy: -0.288
local terms energy: -103.900632
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -26.146
flat angles C4'-P-C4' energy: -23.067
flat angles P-C4'-P energy: -13.171
tors. eta vs tors. theta energy: -28.337
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: 10
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -271.294233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.294233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.294233 (E_RNA)
where:
Base-Base interactions energy: -162.630
where: short stacking energy: -79.103
Base-Backbone interact. energy: -0.795
local terms energy: -107.869721
where:
bonds (distance) C4'-P energy: -24.549
bonds (distance) P-C4' energy: -21.291
flat angles C4'-P-C4' energy: -23.489
flat angles P-C4'-P energy: -16.407
tors. eta vs tors. theta energy: -22.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -271.744134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.744134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.744134 (E_RNA)
where:
Base-Base interactions energy: -174.159
where: short stacking energy: -85.098
Base-Backbone interact. energy: -0.413
local terms energy: -97.172466
where:
bonds (distance) C4'-P energy: -20.206
bonds (distance) P-C4' energy: -20.355
flat angles C4'-P-C4' energy: -20.262
flat angles P-C4'-P energy: -13.864
tors. eta vs tors. theta energy: -22.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -268.873917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.873917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.873917 (E_RNA)
where:
Base-Base interactions energy: -163.758
where: short stacking energy: -69.882
Base-Backbone interact. energy: -0.779
local terms energy: -104.336826
where:
bonds (distance) C4'-P energy: -22.462
bonds (distance) P-C4' energy: -21.549
flat angles C4'-P-C4' energy: -23.652
flat angles P-C4'-P energy: -18.284
tors. eta vs tors. theta energy: -18.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -238.250771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.250771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.250771 (E_RNA)
where:
Base-Base interactions energy: -148.622
where: short stacking energy: -58.868
Base-Backbone interact. energy: -0.636
local terms energy: -88.992364
where:
bonds (distance) C4'-P energy: -19.129
bonds (distance) P-C4' energy: -21.850
flat angles C4'-P-C4' energy: -17.867
flat angles P-C4'-P energy: -14.451
tors. eta vs tors. theta energy: -15.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -211.573508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.573508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.573508 (E_RNA)
where:
Base-Base interactions energy: -133.931
where: short stacking energy: -60.066
Base-Backbone interact. energy: -0.889
local terms energy: -76.753819
where:
bonds (distance) C4'-P energy: -18.155
bonds (distance) P-C4' energy: -19.034
flat angles C4'-P-C4' energy: -20.648
flat angles P-C4'-P energy: -12.707
tors. eta vs tors. theta energy: -6.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -122.876966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.876966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.876966 (E_RNA)
where:
Base-Base interactions energy: -56.976
where: short stacking energy: -18.928
Base-Backbone interact. energy: -1.191
local terms energy: -64.710161
where:
bonds (distance) C4'-P energy: -18.224
bonds (distance) P-C4' energy: -25.067
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -11.657
tors. eta vs tors. theta energy: 7.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -362.733871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.733871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.733871 (E_RNA)
where:
Base-Base interactions energy: -237.301
where: short stacking energy: -107.831
Base-Backbone interact. energy: -0.001
local terms energy: -125.432266
where:
bonds (distance) C4'-P energy: -19.775
bonds (distance) P-C4' energy: -22.686
flat angles C4'-P-C4' energy: -28.153
flat angles P-C4'-P energy: -17.890
tors. eta vs tors. theta energy: -36.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -334.655220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.655220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.655220 (E_RNA)
where:
Base-Base interactions energy: -234.638
where: short stacking energy: -86.646
Base-Backbone interact. energy: -0.618
local terms energy: -99.399761
where:
bonds (distance) C4'-P energy: -16.465
bonds (distance) P-C4' energy: -22.292
flat angles C4'-P-C4' energy: -24.836
flat angles P-C4'-P energy: -15.577
tors. eta vs tors. theta energy: -20.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -334.953879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.953879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.953879 (E_RNA)
where:
Base-Base interactions energy: -237.919
where: short stacking energy: -89.514
Base-Backbone interact. energy: -0.217
local terms energy: -96.817755
where:
bonds (distance) C4'-P energy: -17.272
bonds (distance) P-C4' energy: -24.989
flat angles C4'-P-C4' energy: -23.419
flat angles P-C4'-P energy: -13.422
tors. eta vs tors. theta energy: -17.715
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: 7
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -309.215295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.215295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.215295 (E_RNA)
where:
Base-Base interactions energy: -203.759
where: short stacking energy: -105.404
Base-Backbone interact. energy: -0.462
local terms energy: -104.993789
where:
bonds (distance) C4'-P energy: -17.364
bonds (distance) P-C4' energy: -18.666
flat angles C4'-P-C4' energy: -20.380
flat angles P-C4'-P energy: -15.419
tors. eta vs tors. theta energy: -33.165
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: 427
Temperature: 1.100000
Total energy: -263.881674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.881674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.881674 (E_RNA)
where:
Base-Base interactions energy: -162.485
where: short stacking energy: -77.715
Base-Backbone interact. energy: -0.419
local terms energy: -100.977677
where:
bonds (distance) C4'-P energy: -19.225
bonds (distance) P-C4' energy: -22.611
flat angles C4'-P-C4' energy: -23.218
flat angles P-C4'-P energy: -20.555
tors. eta vs tors. theta energy: -15.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -267.623490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.623490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.623490 (E_RNA)
where:
Base-Base interactions energy: -175.092
where: short stacking energy: -74.917
Base-Backbone interact. energy: -0.078
local terms energy: -92.452639
where:
bonds (distance) C4'-P energy: -24.085
bonds (distance) P-C4' energy: -21.812
flat angles C4'-P-C4' energy: -17.303
flat angles P-C4'-P energy: -13.656
tors. eta vs tors. theta energy: -15.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -262.346920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.346920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.346920 (E_RNA)
where:
Base-Base interactions energy: -170.298
where: short stacking energy: -79.755
Base-Backbone interact. energy: -0.213
local terms energy: -91.835932
where:
bonds (distance) C4'-P energy: -22.955
bonds (distance) P-C4' energy: -17.972
flat angles C4'-P-C4' energy: -18.499
flat angles P-C4'-P energy: -14.071
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: 8, replica: 6
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -239.232695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.232695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.232695 (E_RNA)
where:
Base-Base interactions energy: -150.227
where: short stacking energy: -67.536
Base-Backbone interact. energy: -0.191
local terms energy: -88.814785
where:
bonds (distance) C4'-P energy: -16.746
bonds (distance) P-C4' energy: -25.480
flat angles C4'-P-C4' energy: -17.414
flat angles P-C4'-P energy: -11.309
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: 9, replica: 1
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -230.647132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.647132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.647132 (E_RNA)
where:
Base-Base interactions energy: -143.271
where: short stacking energy: -70.892
Base-Backbone interact. energy: -0.988
local terms energy: -86.388787
where:
bonds (distance) C4'-P energy: -18.188
bonds (distance) P-C4' energy: -20.176
flat angles C4'-P-C4' energy: -20.069
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -17.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -109.611663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.611663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.611663 (E_RNA)
where:
Base-Base interactions energy: -44.841
where: short stacking energy: -43.293
Base-Backbone interact. energy: -0.207
local terms energy: -64.564386
where:
bonds (distance) C4'-P energy: -18.518
bonds (distance) P-C4' energy: -20.505
flat angles C4'-P-C4' energy: -21.347
flat angles P-C4'-P energy: -4.655
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: 1, replica: 5
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -372.144703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.144703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.144703 (E_RNA)
where:
Base-Base interactions energy: -256.327
where: short stacking energy: -102.945
Base-Backbone interact. energy: -0.711
local terms energy: -115.106847
where:
bonds (distance) C4'-P energy: -18.249
bonds (distance) P-C4' energy: -22.689
flat angles C4'-P-C4' energy: -23.913
flat angles P-C4'-P energy: -19.725
tors. eta vs tors. theta energy: -30.531
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: 428
Temperature: 0.950000
Total energy: -337.600003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.600003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.600003 (E_RNA)
where:
Base-Base interactions energy: -240.726
where: short stacking energy: -97.036
Base-Backbone interact. energy: -0.930
local terms energy: -95.943767
where:
bonds (distance) C4'-P energy: -21.737
bonds (distance) P-C4' energy: -19.578
flat angles C4'-P-C4' energy: -18.649
flat angles P-C4'-P energy: -13.516
tors. eta vs tors. theta energy: -22.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -334.779937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.779937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.779937 (E_RNA)
where:
Base-Base interactions energy: -222.365
where: short stacking energy: -84.620
Base-Backbone interact. energy: 0.387
local terms energy: -112.802284
where:
bonds (distance) C4'-P energy: -25.248
bonds (distance) P-C4' energy: -21.064
flat angles C4'-P-C4' energy: -25.132
flat angles P-C4'-P energy: -18.982
tors. eta vs tors. theta energy: -22.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -308.700935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.700935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.700935 (E_RNA)
where:
Base-Base interactions energy: -207.274
where: short stacking energy: -91.538
Base-Backbone interact. energy: -0.859
local terms energy: -100.568222
where:
bonds (distance) C4'-P energy: -19.108
bonds (distance) P-C4' energy: -22.779
flat angles C4'-P-C4' energy: -25.113
flat angles P-C4'-P energy: -12.016
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: 5, replica: 3
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -288.343031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.343031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.343031 (E_RNA)
where:
Base-Base interactions energy: -190.090
where: short stacking energy: -80.267
Base-Backbone interact. energy: -0.403
local terms energy: -97.850608
where:
bonds (distance) C4'-P energy: -22.355
bonds (distance) P-C4' energy: -18.431
flat angles C4'-P-C4' energy: -25.321
flat angles P-C4'-P energy: -17.195
tors. eta vs tors. theta energy: -14.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -266.425909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.425909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.425909 (E_RNA)
where:
Base-Base interactions energy: -169.836
where: short stacking energy: -70.049
Base-Backbone interact. energy: -0.740
local terms energy: -95.850330
where:
bonds (distance) C4'-P energy: -21.999
bonds (distance) P-C4' energy: -22.461
flat angles C4'-P-C4' energy: -16.990
flat angles P-C4'-P energy: -17.811
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: 7, replica: 6
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -242.185675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.185675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.185675 (E_RNA)
where:
Base-Base interactions energy: -146.804
where: short stacking energy: -75.758
Base-Backbone interact. energy: -0.153
local terms energy: -95.228693
where:
bonds (distance) C4'-P energy: -17.312
bonds (distance) P-C4' energy: -22.791
flat angles C4'-P-C4' energy: -22.117
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -21.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -275.091482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.091482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.091482 (E_RNA)
where:
Base-Base interactions energy: -172.863
where: short stacking energy: -82.205
Base-Backbone interact. energy: -0.942
local terms energy: -101.286770
where:
bonds (distance) C4'-P energy: -24.993
bonds (distance) P-C4' energy: -21.507
flat angles C4'-P-C4' energy: -19.959
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -23.064
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: 1
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -207.539292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.539292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.539292 (E_RNA)
where:
Base-Base interactions energy: -126.368
where: short stacking energy: -62.884
Base-Backbone interact. energy: 1.670
local terms energy: -82.840763
where:
bonds (distance) C4'-P energy: -21.663
bonds (distance) P-C4' energy: -21.127
flat angles C4'-P-C4' energy: -14.307
flat angles P-C4'-P energy: -14.395
tors. eta vs tors. theta energy: -11.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -112.574034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.574034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.574034 (E_RNA)
where:
Base-Base interactions energy: -37.765
where: short stacking energy: -36.142
Base-Backbone interact. energy: -0.346
local terms energy: -74.462363
where:
bonds (distance) C4'-P energy: -21.752
bonds (distance) P-C4' energy: -23.683
flat angles C4'-P-C4' energy: -21.055
flat angles P-C4'-P energy: -8.153
tors. eta vs tors. theta energy: 0.181
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: 429
Temperature: 0.900000
Total energy: -362.377632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.377632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.377632 (E_RNA)
where:
Base-Base interactions energy: -250.100
where: short stacking energy: -107.280
Base-Backbone interact. energy: -0.265
local terms energy: -112.012908
where:
bonds (distance) C4'-P energy: -21.575
bonds (distance) P-C4' energy: -20.489
flat angles C4'-P-C4' energy: -21.657
flat angles P-C4'-P energy: -16.467
tors. eta vs tors. theta energy: -31.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -352.295249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.295249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.295249 (E_RNA)
where:
Base-Base interactions energy: -245.233
where: short stacking energy: -96.785
Base-Backbone interact. energy: -0.363
local terms energy: -106.699038
where:
bonds (distance) C4'-P energy: -21.354
bonds (distance) P-C4' energy: -24.081
flat angles C4'-P-C4' energy: -21.232
flat angles P-C4'-P energy: -15.120
tors. eta vs tors. theta energy: -24.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -329.963648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.963648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.963648 (E_RNA)
where:
Base-Base interactions energy: -230.906
where: short stacking energy: -86.187
Base-Backbone interact. energy: -1.027
local terms energy: -98.030336
where:
bonds (distance) C4'-P energy: -23.759
bonds (distance) P-C4' energy: -19.665
flat angles C4'-P-C4' energy: -21.893
flat angles P-C4'-P energy: -13.168
tors. eta vs tors. theta energy: -19.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -289.062639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.062639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.062639 (E_RNA)
where:
Base-Base interactions energy: -192.283
where: short stacking energy: -78.518
Base-Backbone interact. energy: -0.368
local terms energy: -96.411532
where:
bonds (distance) C4'-P energy: -21.880
bonds (distance) P-C4' energy: -19.933
flat angles C4'-P-C4' energy: -18.812
flat angles P-C4'-P energy: -17.072
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: 5, replica: 7
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -308.097695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.097695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.097695 (E_RNA)
where:
Base-Base interactions energy: -209.723
where: short stacking energy: -91.963
Base-Backbone interact. energy: -0.595
local terms energy: -97.779450
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -22.878
flat angles C4'-P-C4' energy: -20.796
flat angles P-C4'-P energy: -15.094
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: 6, replica: 10
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -265.359233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.359233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.359233 (E_RNA)
where:
Base-Base interactions energy: -166.145
where: short stacking energy: -75.209
Base-Backbone interact. energy: -0.649
local terms energy: -98.565711
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -23.902
flat angles C4'-P-C4' energy: -23.647
flat angles P-C4'-P energy: -16.669
tors. eta vs tors. theta energy: -18.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -254.065868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.065868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.065868 (E_RNA)
where:
Base-Base interactions energy: -162.003
where: short stacking energy: -74.689
Base-Backbone interact. energy: 0.060
local terms energy: -92.122033
where:
bonds (distance) C4'-P energy: -22.632
bonds (distance) P-C4' energy: -22.678
flat angles C4'-P-C4' energy: -15.462
flat angles P-C4'-P energy: -14.296
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: 8, replica: 9
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -250.103261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.103261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.103261 (E_RNA)
where:
Base-Base interactions energy: -157.656
where: short stacking energy: -81.952
Base-Backbone interact. energy: -0.115
local terms energy: -92.332670
where:
bonds (distance) C4'-P energy: -18.783
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -22.623
flat angles P-C4'-P energy: -13.111
tors. eta vs tors. theta energy: -21.556
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: 1
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -206.713279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.713279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.713279 (E_RNA)
where:
Base-Base interactions energy: -125.332
where: short stacking energy: -53.853
Base-Backbone interact. energy: -0.617
local terms energy: -80.764603
where:
bonds (distance) C4'-P energy: -21.832
bonds (distance) P-C4' energy: -22.120
flat angles C4'-P-C4' energy: -12.718
flat angles P-C4'-P energy: -16.771
tors. eta vs tors. theta energy: -7.324
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: 2
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -127.765127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.765127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.765127 (E_RNA)
where:
Base-Base interactions energy: -47.782
where: short stacking energy: -46.912
Base-Backbone interact. energy: -0.163
local terms energy: -79.820453
where:
bonds (distance) C4'-P energy: -20.691
bonds (distance) P-C4' energy: -22.297
flat angles C4'-P-C4' energy: -19.350
flat angles P-C4'-P energy: -9.049
tors. eta vs tors. theta energy: -8.434
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: 4
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -360.170848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.170848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.170848 (E_RNA)
where:
Base-Base interactions energy: -243.144
where: short stacking energy: -95.748
Base-Backbone interact. energy: -0.235
local terms energy: -116.791986
where:
bonds (distance) C4'-P energy: -18.318
bonds (distance) P-C4' energy: -24.596
flat angles C4'-P-C4' energy: -24.897
flat angles P-C4'-P energy: -20.352
tors. eta vs tors. theta energy: -28.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -369.320471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.320471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.320471 (E_RNA)
where:
Base-Base interactions energy: -242.699
where: short stacking energy: -112.215
Base-Backbone interact. energy: 0.091
local terms energy: -126.712056
where:
bonds (distance) C4'-P energy: -22.231
bonds (distance) P-C4' energy: -24.239
flat angles C4'-P-C4' energy: -25.033
flat angles P-C4'-P energy: -19.356
tors. eta vs tors. theta energy: -35.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -313.007292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.007292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.007292 (E_RNA)
where:
Base-Base interactions energy: -200.938
where: short stacking energy: -104.583
Base-Backbone interact. energy: -0.043
local terms energy: -112.026580
where:
bonds (distance) C4'-P energy: -18.294
bonds (distance) P-C4' energy: -25.286
flat angles C4'-P-C4' energy: -21.694
flat angles P-C4'-P energy: -17.454
tors. eta vs tors. theta energy: -29.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -316.972179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.972179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.972179 (E_RNA)
where:
Base-Base interactions energy: -208.856
where: short stacking energy: -83.548
Base-Backbone interact. energy: -0.985
local terms energy: -107.130836
where:
bonds (distance) C4'-P energy: -21.175
bonds (distance) P-C4' energy: -24.532
flat angles C4'-P-C4' energy: -21.654
flat angles P-C4'-P energy: -15.007
tors. eta vs tors. theta energy: -24.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -309.866908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.866908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.866908 (E_RNA)
where:
Base-Base interactions energy: -210.938
where: short stacking energy: -78.919
Base-Backbone interact. energy: -0.274
local terms energy: -98.655388
where:
bonds (distance) C4'-P energy: -20.142
bonds (distance) P-C4' energy: -23.787
flat angles C4'-P-C4' energy: -21.572
flat angles P-C4'-P energy: -11.829
tors. eta vs tors. theta energy: -21.325
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: 10
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -276.379740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.379740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.379740 (E_RNA)
where:
Base-Base interactions energy: -180.078
where: short stacking energy: -80.681
Base-Backbone interact. energy: -0.300
local terms energy: -96.001368
where:
bonds (distance) C4'-P energy: -18.218
bonds (distance) P-C4' energy: -18.507
flat angles C4'-P-C4' energy: -24.120
flat angles P-C4'-P energy: -13.550
tors. eta vs tors. theta energy: -21.606
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: 9
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -249.116397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.116397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.116397 (E_RNA)
where:
Base-Base interactions energy: -153.442
where: short stacking energy: -78.531
Base-Backbone interact. energy: -0.041
local terms energy: -95.633269
where:
bonds (distance) C4'-P energy: -20.840
bonds (distance) P-C4' energy: -18.008
flat angles C4'-P-C4' energy: -23.247
flat angles P-C4'-P energy: -14.335
tors. eta vs tors. theta energy: -19.203
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: 6
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -254.764852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.764852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.764852 (E_RNA)
where:
Base-Base interactions energy: -164.790
where: short stacking energy: -73.999
Base-Backbone interact. energy: -0.405
local terms energy: -89.569934
where:
bonds (distance) C4'-P energy: -15.450
bonds (distance) P-C4' energy: -21.033
flat angles C4'-P-C4' energy: -21.996
flat angles P-C4'-P energy: -12.130
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: 9, replica: 2
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -164.384787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.384787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.384787 (E_RNA)
where:
Base-Base interactions energy: -83.426
where: short stacking energy: -45.045
Base-Backbone interact. energy: -0.189
local terms energy: -80.769927
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -23.965
flat angles C4'-P-C4' energy: -22.579
flat angles P-C4'-P energy: -11.946
tors. eta vs tors. theta energy: -4.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -192.088875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.088875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.088875 (E_RNA)
where:
Base-Base interactions energy: -110.068
where: short stacking energy: -50.890
Base-Backbone interact. energy: -0.684
local terms energy: -81.337178
where:
bonds (distance) C4'-P energy: -22.797
bonds (distance) P-C4' energy: -19.737
flat angles C4'-P-C4' energy: -16.963
flat angles P-C4'-P energy: -14.654
tors. eta vs tors. theta energy: -7.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -351.439288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.439288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.439288 (E_RNA)
where:
Base-Base interactions energy: -243.536
where: short stacking energy: -100.631
Base-Backbone interact. energy: 2.621
local terms energy: -110.524263
where:
bonds (distance) C4'-P energy: -23.792
bonds (distance) P-C4' energy: -23.286
flat angles C4'-P-C4' energy: -20.070
flat angles P-C4'-P energy: -15.353
tors. eta vs tors. theta energy: -28.023
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: 2, replica: 5
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -372.473744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.473744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.473744 (E_RNA)
where:
Base-Base interactions energy: -247.206
where: short stacking energy: -99.993
Base-Backbone interact. energy: -0.512
local terms energy: -124.755738
where:
bonds (distance) C4'-P energy: -23.821
bonds (distance) P-C4' energy: -26.710
flat angles C4'-P-C4' energy: -24.042
flat angles P-C4'-P energy: -17.930
tors. eta vs tors. theta energy: -32.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -307.876811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.876811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.876811 (E_RNA)
where:
Base-Base interactions energy: -195.284
where: short stacking energy: -91.422
Base-Backbone interact. energy: -0.978
local terms energy: -111.615181
where:
bonds (distance) C4'-P energy: -20.289
bonds (distance) P-C4' energy: -20.822
flat angles C4'-P-C4' energy: -25.542
flat angles P-C4'-P energy: -14.923
tors. eta vs tors. theta energy: -30.039
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: 7
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -333.109497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.109497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.109497 (E_RNA)
where:
Base-Base interactions energy: -229.367
where: short stacking energy: -90.840
Base-Backbone interact. energy: -0.246
local terms energy: -103.496864
where:
bonds (distance) C4'-P energy: -20.598
bonds (distance) P-C4' energy: -20.137
flat angles C4'-P-C4' energy: -20.958
flat angles P-C4'-P energy: -18.070
tors. eta vs tors. theta energy: -23.734
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: 5, replica: 8
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -298.162602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.162602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.162602 (E_RNA)
where:
Base-Base interactions energy: -200.289
where: short stacking energy: -86.137
Base-Backbone interact. energy: -0.362
local terms energy: -97.512000
where:
bonds (distance) C4'-P energy: -20.240
bonds (distance) P-C4' energy: -24.963
flat angles C4'-P-C4' energy: -18.103
flat angles P-C4'-P energy: -13.539
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: 6, replica: 9
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -277.328229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.328229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.328229 (E_RNA)
where:
Base-Base interactions energy: -183.586
where: short stacking energy: -75.282
Base-Backbone interact. energy: -0.279
local terms energy: -93.463974
where:
bonds (distance) C4'-P energy: -16.584
bonds (distance) P-C4' energy: -18.624
flat angles C4'-P-C4' energy: -22.527
flat angles P-C4'-P energy: -14.583
tors. eta vs tors. theta energy: -21.146
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: 10
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -251.575157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.575157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.575157 (E_RNA)
where:
Base-Base interactions energy: -157.694
where: short stacking energy: -69.726
Base-Backbone interact. energy: -0.443
local terms energy: -93.438552
where:
bonds (distance) C4'-P energy: -22.152
bonds (distance) P-C4' energy: -20.085
flat angles C4'-P-C4' energy: -21.768
flat angles P-C4'-P energy: -18.411
tors. eta vs tors. theta energy: -11.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -242.706845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.706845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.706845 (E_RNA)
where:
Base-Base interactions energy: -147.284
where: short stacking energy: -68.369
Base-Backbone interact. energy: -0.076
local terms energy: -95.347090
where:
bonds (distance) C4'-P energy: -18.546
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -23.103
flat angles P-C4'-P energy: -17.534
tors. eta vs tors. theta energy: -19.931
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: 2
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -119.125888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.125888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.125888 (E_RNA)
where:
Base-Base interactions energy: -53.700
where: short stacking energy: -51.944
Base-Backbone interact. energy: -0.147
local terms energy: -65.279014
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -21.711
flat angles C4'-P-C4' energy: -13.126
flat angles P-C4'-P energy: -10.665
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: 1
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -224.457196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.457196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.457196 (E_RNA)
where:
Base-Base interactions energy: -145.066
where: short stacking energy: -64.150
Base-Backbone interact. energy: 2.030
local terms energy: -81.421285
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -26.970
flat angles C4'-P-C4' energy: -20.943
flat angles P-C4'-P energy: -11.723
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: 1, replica: 5
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -371.085818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.085818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.085818 (E_RNA)
where:
Base-Base interactions energy: -251.817
where: short stacking energy: -102.082
Base-Backbone interact. energy: -0.006
local terms energy: -119.262823
where:
bonds (distance) C4'-P energy: -23.790
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -23.038
flat angles P-C4'-P energy: -20.278
tors. eta vs tors. theta energy: -33.968
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: 4
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -343.397376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.397376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.397376 (E_RNA)
where:
Base-Base interactions energy: -235.202
where: short stacking energy: -103.196
Base-Backbone interact. energy: -0.880
local terms energy: -107.315401
where:
bonds (distance) C4'-P energy: -17.072
bonds (distance) P-C4' energy: -19.240
flat angles C4'-P-C4' energy: -25.225
flat angles P-C4'-P energy: -18.476
tors. eta vs tors. theta energy: -27.302
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: 432
Temperature: 1.000000
Total energy: -315.987043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.987043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.987043 (E_RNA)
where:
Base-Base interactions energy: -209.034
where: short stacking energy: -82.689
Base-Backbone interact. energy: 0.403
local terms energy: -107.355725
where:
bonds (distance) C4'-P energy: -25.887
bonds (distance) P-C4' energy: -21.115
flat angles C4'-P-C4' energy: -24.009
flat angles P-C4'-P energy: -16.866
tors. eta vs tors. theta energy: -19.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -305.530757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.530757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.530757 (E_RNA)
where:
Base-Base interactions energy: -197.467
where: short stacking energy: -80.462
Base-Backbone interact. energy: 0.677
local terms energy: -108.740156
where:
bonds (distance) C4'-P energy: -24.130
bonds (distance) P-C4' energy: -24.222
flat angles C4'-P-C4' energy: -21.615
flat angles P-C4'-P energy: -16.205
tors. eta vs tors. theta energy: -22.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -305.838592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.838592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.838592 (E_RNA)
where:
Base-Base interactions energy: -203.942
where: short stacking energy: -76.519
Base-Backbone interact. energy: 0.601
local terms energy: -102.497831
where:
bonds (distance) C4'-P energy: -21.796
bonds (distance) P-C4' energy: -23.426
flat angles C4'-P-C4' energy: -21.967
flat angles P-C4'-P energy: -15.160
tors. eta vs tors. theta energy: -20.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -274.258120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.258120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.258120 (E_RNA)
where:
Base-Base interactions energy: -174.135
where: short stacking energy: -84.380
Base-Backbone interact. energy: -0.424
local terms energy: -99.698834
where:
bonds (distance) C4'-P energy: -21.788
bonds (distance) P-C4' energy: -26.699
flat angles C4'-P-C4' energy: -20.836
flat angles P-C4'-P energy: -7.641
tors. eta vs tors. theta energy: -22.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -248.108962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.108962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.108962 (E_RNA)
where:
Base-Base interactions energy: -160.880
where: short stacking energy: -71.788
Base-Backbone interact. energy: -1.147
local terms energy: -86.082751
where:
bonds (distance) C4'-P energy: -19.540
bonds (distance) P-C4' energy: -23.791
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -11.506
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: 8, replica: 10
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -217.532800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.532800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.532800 (E_RNA)
where:
Base-Base interactions energy: -139.515
where: short stacking energy: -61.236
Base-Backbone interact. energy: -0.873
local terms energy: -77.144534
where:
bonds (distance) C4'-P energy: -19.684
bonds (distance) P-C4' energy: -20.238
flat angles C4'-P-C4' energy: -15.024
flat angles P-C4'-P energy: -14.085
tors. eta vs tors. theta energy: -8.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -235.598695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.598695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.598695 (E_RNA)
where:
Base-Base interactions energy: -149.016
where: short stacking energy: -59.645
Base-Backbone interact. energy: -0.393
local terms energy: -86.190220
where:
bonds (distance) C4'-P energy: -21.953
bonds (distance) P-C4' energy: -23.462
flat angles C4'-P-C4' energy: -20.383
flat angles P-C4'-P energy: -7.421
tors. eta vs tors. theta energy: -12.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -101.004157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.004157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.004157 (E_RNA)
where:
Base-Base interactions energy: -36.586
where: short stacking energy: -35.222
Base-Backbone interact. energy: -0.102
local terms energy: -64.316947
where:
bonds (distance) C4'-P energy: -19.961
bonds (distance) P-C4' energy: -20.717
flat angles C4'-P-C4' energy: -12.324
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -1.937
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: 1, replica: 5
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -365.732925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.732925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.732925 (E_RNA)
where:
Base-Base interactions energy: -251.279
where: short stacking energy: -106.072
Base-Backbone interact. energy: -0.092
local terms energy: -114.361450
where:
bonds (distance) C4'-P energy: -17.143
bonds (distance) P-C4' energy: -20.873
flat angles C4'-P-C4' energy: -27.013
flat angles P-C4'-P energy: -17.927
tors. eta vs tors. theta energy: -31.406
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: 4
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -337.952712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.952712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.952712 (E_RNA)
where:
Base-Base interactions energy: -226.757
where: short stacking energy: -90.696
Base-Backbone interact. energy: -0.913
local terms energy: -110.282210
where:
bonds (distance) C4'-P energy: -18.980
bonds (distance) P-C4' energy: -21.057
flat angles C4'-P-C4' energy: -24.652
flat angles P-C4'-P energy: -15.276
tors. eta vs tors. theta energy: -30.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -334.828495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.828495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.828495 (E_RNA)
where:
Base-Base interactions energy: -217.847
where: short stacking energy: -89.244
Base-Backbone interact. energy: -0.269
local terms energy: -116.711866
where:
bonds (distance) C4'-P energy: -23.810
bonds (distance) P-C4' energy: -27.252
flat angles C4'-P-C4' energy: -21.826
flat angles P-C4'-P energy: -18.999
tors. eta vs tors. theta energy: -24.824
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: 4, replica: 8
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -294.853548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.853548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.853548 (E_RNA)
where:
Base-Base interactions energy: -197.526
where: short stacking energy: -91.100
Base-Backbone interact. energy: -0.356
local terms energy: -96.970740
where:
bonds (distance) C4'-P energy: -24.685
bonds (distance) P-C4' energy: -16.975
flat angles C4'-P-C4' energy: -19.686
flat angles P-C4'-P energy: -12.627
tors. eta vs tors. theta energy: -22.997
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: 5, replica: 3
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -273.228445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.228445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.228445 (E_RNA)
where:
Base-Base interactions energy: -177.165
where: short stacking energy: -83.453
Base-Backbone interact. energy: 0.047
local terms energy: -96.110546
where:
bonds (distance) C4'-P energy: -23.207
bonds (distance) P-C4' energy: -21.087
flat angles C4'-P-C4' energy: -21.442
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -21.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -265.301011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.301011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.301011 (E_RNA)
where:
Base-Base interactions energy: -175.204
where: short stacking energy: -75.523
Base-Backbone interact. energy: -0.922
local terms energy: -89.174724
where:
bonds (distance) C4'-P energy: -18.543
bonds (distance) P-C4' energy: -25.315
flat angles C4'-P-C4' energy: -18.595
flat angles P-C4'-P energy: -13.313
tors. eta vs tors. theta energy: -13.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -254.163363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.163363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.163363 (E_RNA)
where:
Base-Base interactions energy: -169.506
where: short stacking energy: -73.413
Base-Backbone interact. energy: -0.026
local terms energy: -84.630769
where:
bonds (distance) C4'-P energy: -17.062
bonds (distance) P-C4' energy: -19.526
flat angles C4'-P-C4' energy: -15.361
flat angles P-C4'-P energy: -11.171
tors. eta vs tors. theta energy: -21.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -248.707862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.707862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.707862 (E_RNA)
where:
Base-Base interactions energy: -152.649
where: short stacking energy: -68.544
Base-Backbone interact. energy: -0.936
local terms energy: -95.123018
where:
bonds (distance) C4'-P energy: -21.591
bonds (distance) P-C4' energy: -22.332
flat angles C4'-P-C4' energy: -24.603
flat angles P-C4'-P energy: -9.277
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: 9, replica: 10
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -191.470503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.470503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.470503 (E_RNA)
where:
Base-Base interactions energy: -109.958
where: short stacking energy: -55.465
Base-Backbone interact. energy: 0.383
local terms energy: -81.895754
where:
bonds (distance) C4'-P energy: -23.105
bonds (distance) P-C4' energy: -20.432
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -13.222
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: 10, replica: 2
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -109.614058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.614058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.614058 (E_RNA)
where:
Base-Base interactions energy: -44.398
where: short stacking energy: -44.398
Base-Backbone interact. energy: -0.090
local terms energy: -65.126452
where:
bonds (distance) C4'-P energy: -23.645
bonds (distance) P-C4' energy: -10.062
flat angles C4'-P-C4' energy: -17.935
flat angles P-C4'-P energy: -9.281
tors. eta vs tors. theta energy: -4.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -371.416351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.416351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.416351 (E_RNA)
where:
Base-Base interactions energy: -255.640
where: short stacking energy: -111.756
Base-Backbone interact. energy: -0.028
local terms energy: -115.747694
where:
bonds (distance) C4'-P energy: -13.516
bonds (distance) P-C4' energy: -26.333
flat angles C4'-P-C4' energy: -25.598
flat angles P-C4'-P energy: -17.199
tors. eta vs tors. theta energy: -33.102
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: 4
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -347.534434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.534434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.534434 (E_RNA)
where:
Base-Base interactions energy: -228.964
where: short stacking energy: -102.294
Base-Backbone interact. energy: -0.246
local terms energy: -118.324145
where:
bonds (distance) C4'-P energy: -19.734
bonds (distance) P-C4' energy: -27.700
flat angles C4'-P-C4' energy: -21.828
flat angles P-C4'-P energy: -20.468
tors. eta vs tors. theta energy: -28.594
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: 7
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -339.388019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.388019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.388019 (E_RNA)
where:
Base-Base interactions energy: -228.952
where: short stacking energy: -94.151
Base-Backbone interact. energy: -0.982
local terms energy: -109.454742
where:
bonds (distance) C4'-P energy: -23.645
bonds (distance) P-C4' energy: -19.613
flat angles C4'-P-C4' energy: -22.532
flat angles P-C4'-P energy: -17.097
tors. eta vs tors. theta energy: -26.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -307.412013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.412013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.412013 (E_RNA)
where:
Base-Base interactions energy: -204.044
where: short stacking energy: -94.891
Base-Backbone interact. energy: 0.292
local terms energy: -103.659903
where:
bonds (distance) C4'-P energy: -23.045
bonds (distance) P-C4' energy: -17.783
flat angles C4'-P-C4' energy: -22.601
flat angles P-C4'-P energy: -16.806
tors. eta vs tors. theta energy: -23.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -268.739435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.739435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.739435 (E_RNA)
where:
Base-Base interactions energy: -167.777
where: short stacking energy: -76.393
Base-Backbone interact. energy: -0.208
local terms energy: -100.755086
where:
bonds (distance) C4'-P energy: -23.154
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -22.873
flat angles P-C4'-P energy: -18.806
tors. eta vs tors. theta energy: -20.548
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: 6, replica: 9
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -269.215917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.215917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.215917 (E_RNA)
where:
Base-Base interactions energy: -167.886
where: short stacking energy: -80.344
Base-Backbone interact. energy: -0.174
local terms energy: -101.156594
where:
bonds (distance) C4'-P energy: -19.586
bonds (distance) P-C4' energy: -22.485
flat angles C4'-P-C4' energy: -24.581
flat angles P-C4'-P energy: -14.287
tors. eta vs tors. theta energy: -20.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -266.973117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.973117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.973117 (E_RNA)
where:
Base-Base interactions energy: -166.808
where: short stacking energy: -79.469
Base-Backbone interact. energy: -0.280
local terms energy: -99.884681
where:
bonds (distance) C4'-P energy: -21.242
bonds (distance) P-C4' energy: -21.355
flat angles C4'-P-C4' energy: -23.420
flat angles P-C4'-P energy: -12.985
tors. eta vs tors. theta energy: -20.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -247.428805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.428805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.428805 (E_RNA)
where:
Base-Base interactions energy: -163.469
where: short stacking energy: -79.258
Base-Backbone interact. energy: -0.101
local terms energy: -83.859369
where:
bonds (distance) C4'-P energy: -12.804
bonds (distance) P-C4' energy: -19.881
flat angles C4'-P-C4' energy: -23.887
flat angles P-C4'-P energy: -12.700
tors. eta vs tors. theta energy: -14.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -208.028669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.028669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.028669 (E_RNA)
where:
Base-Base interactions energy: -119.988
where: short stacking energy: -56.817
Base-Backbone interact. energy: -0.863
local terms energy: -87.177551
where:
bonds (distance) C4'-P energy: -24.007
bonds (distance) P-C4' energy: -19.817
flat angles C4'-P-C4' energy: -17.108
flat angles P-C4'-P energy: -12.552
tors. eta vs tors. theta energy: -13.694
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: 2
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -124.799717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.799717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.799717 (E_RNA)
where:
Base-Base interactions energy: -41.654
where: short stacking energy: -33.755
Base-Backbone interact. energy: -0.189
local terms energy: -82.956052
where:
bonds (distance) C4'-P energy: -22.011
bonds (distance) P-C4' energy: -21.244
flat angles C4'-P-C4' energy: -23.205
flat angles P-C4'-P energy: -14.099
tors. eta vs tors. theta energy: -2.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -377.037447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.037447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.037447 (E_RNA)
where:
Base-Base interactions energy: -260.901
where: short stacking energy: -113.849
Base-Backbone interact. energy: -0.141
local terms energy: -115.995414
where:
bonds (distance) C4'-P energy: -22.454
bonds (distance) P-C4' energy: -23.511
flat angles C4'-P-C4' energy: -23.277
flat angles P-C4'-P energy: -11.701
tors. eta vs tors. theta energy: -35.052
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: 7
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -356.157856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.157856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.157856 (E_RNA)
where:
Base-Base interactions energy: -248.275
where: short stacking energy: -102.992
Base-Backbone interact. energy: -0.333
local terms energy: -107.550366
where:
bonds (distance) C4'-P energy: -22.238
bonds (distance) P-C4' energy: -18.913
flat angles C4'-P-C4' energy: -19.697
flat angles P-C4'-P energy: -17.244
tors. eta vs tors. theta energy: -29.459
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: 3, replica: 4
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -326.787268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.787268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.787268 (E_RNA)
where:
Base-Base interactions energy: -225.395
where: short stacking energy: -99.461
Base-Backbone interact. energy: -0.271
local terms energy: -101.121524
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -26.017
flat angles C4'-P-C4' energy: -22.813
flat angles P-C4'-P energy: -12.423
tors. eta vs tors. theta energy: -26.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -309.662491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.662491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.662491 (E_RNA)
where:
Base-Base interactions energy: -216.478
where: short stacking energy: -91.467
Base-Backbone interact. energy: -0.028
local terms energy: -93.156428
where:
bonds (distance) C4'-P energy: -23.110
bonds (distance) P-C4' energy: -14.475
flat angles C4'-P-C4' energy: -19.441
flat angles P-C4'-P energy: -14.573
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: 5, replica: 3
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -278.882048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.882048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.882048 (E_RNA)
where:
Base-Base interactions energy: -180.212
where: short stacking energy: -76.755
Base-Backbone interact. energy: -0.240
local terms energy: -98.430780
where:
bonds (distance) C4'-P energy: -18.527
bonds (distance) P-C4' energy: -23.014
flat angles C4'-P-C4' energy: -17.869
flat angles P-C4'-P energy: -14.175
tors. eta vs tors. theta energy: -24.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -268.283284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.283284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.283284 (E_RNA)
where:
Base-Base interactions energy: -178.348
where: short stacking energy: -89.391
Base-Backbone interact. energy: -1.605
local terms energy: -88.330268
where:
bonds (distance) C4'-P energy: -12.449
bonds (distance) P-C4' energy: -20.757
flat angles C4'-P-C4' energy: -19.866
flat angles P-C4'-P energy: -14.274
tors. eta vs tors. theta energy: -20.985
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: 1
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -270.598523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.598523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.598523 (E_RNA)
where:
Base-Base interactions energy: -183.954
where: short stacking energy: -91.070
Base-Backbone interact. energy: -0.365
local terms energy: -86.279522
where:
bonds (distance) C4'-P energy: -17.440
bonds (distance) P-C4' energy: -10.358
flat angles C4'-P-C4' energy: -22.034
flat angles P-C4'-P energy: -11.916
tors. eta vs tors. theta energy: -24.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -240.378187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.378187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.378187 (E_RNA)
where:
Base-Base interactions energy: -152.722
where: short stacking energy: -68.716
Base-Backbone interact. energy: 2.606
local terms energy: -90.262064
where:
bonds (distance) C4'-P energy: -17.663
bonds (distance) P-C4' energy: -21.429
flat angles C4'-P-C4' energy: -19.590
flat angles P-C4'-P energy: -16.600
tors. eta vs tors. theta energy: -14.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -240.250694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.250694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.250694 (E_RNA)
where:
Base-Base interactions energy: -141.633
where: short stacking energy: -66.229
Base-Backbone interact. energy: -0.034
local terms energy: -98.583901
where:
bonds (distance) C4'-P energy: -24.415
bonds (distance) P-C4' energy: -18.094
flat angles C4'-P-C4' energy: -22.470
flat angles P-C4'-P energy: -17.350
tors. eta vs tors. theta energy: -16.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -112.196736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.196736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.196736 (E_RNA)
where:
Base-Base interactions energy: -32.535
where: short stacking energy: -32.535
Base-Backbone interact. energy: -0.454
local terms energy: -79.208406
where:
bonds (distance) C4'-P energy: -23.434
bonds (distance) P-C4' energy: -18.871
flat angles C4'-P-C4' energy: -21.476
flat angles P-C4'-P energy: -14.435
tors. eta vs tors. theta energy: -0.993
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: 5
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -379.425122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.425122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.425122 (E_RNA)
where:
Base-Base interactions energy: -265.946
where: short stacking energy: -107.108
Base-Backbone interact. energy: -0.013
local terms energy: -113.465570
where:
bonds (distance) C4'-P energy: -24.818
bonds (distance) P-C4' energy: -19.717
flat angles C4'-P-C4' energy: -21.975
flat angles P-C4'-P energy: -13.139
tors. eta vs tors. theta energy: -33.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -336.515555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.515555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.515555 (E_RNA)
where:
Base-Base interactions energy: -227.161
where: short stacking energy: -101.243
Base-Backbone interact. energy: -0.422
local terms energy: -108.932438
where:
bonds (distance) C4'-P energy: -21.608
bonds (distance) P-C4' energy: -24.359
flat angles C4'-P-C4' energy: -22.828
flat angles P-C4'-P energy: -12.394
tors. eta vs tors. theta energy: -27.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -345.972113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.972113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.972113 (E_RNA)
where:
Base-Base interactions energy: -224.486
where: short stacking energy: -106.942
Base-Backbone interact. energy: -0.291
local terms energy: -121.195160
where:
bonds (distance) C4'-P energy: -27.128
bonds (distance) P-C4' energy: -16.394
flat angles C4'-P-C4' energy: -23.917
flat angles P-C4'-P energy: -20.541
tors. eta vs tors. theta energy: -33.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -327.078625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.078625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.078625 (E_RNA)
where:
Base-Base interactions energy: -225.105
where: short stacking energy: -92.504
Base-Backbone interact. energy: -0.026
local terms energy: -101.948459
where:
bonds (distance) C4'-P energy: -16.239
bonds (distance) P-C4' energy: -18.253
flat angles C4'-P-C4' energy: -24.619
flat angles P-C4'-P energy: -13.749
tors. eta vs tors. theta energy: -29.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -265.112081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.112081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.112081 (E_RNA)
where:
Base-Base interactions energy: -175.098
where: short stacking energy: -79.303
Base-Backbone interact. energy: 0.872
local terms energy: -90.885973
where:
bonds (distance) C4'-P energy: -14.925
bonds (distance) P-C4' energy: -19.847
flat angles C4'-P-C4' energy: -19.558
flat angles P-C4'-P energy: -14.155
tors. eta vs tors. theta energy: -22.401
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: 6, replica: 3
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -264.607708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.607708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.607708 (E_RNA)
where:
Base-Base interactions energy: -171.798
where: short stacking energy: -76.005
Base-Backbone interact. energy: 1.729
local terms energy: -94.538211
where:
bonds (distance) C4'-P energy: -23.842
bonds (distance) P-C4' energy: -25.320
flat angles C4'-P-C4' energy: -17.610
flat angles P-C4'-P energy: -10.736
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: 7, replica: 10
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -245.178705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.178705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.178705 (E_RNA)
where:
Base-Base interactions energy: -161.440
where: short stacking energy: -76.830
Base-Backbone interact. energy: -0.077
local terms energy: -83.662467
where:
bonds (distance) C4'-P energy: -21.076
bonds (distance) P-C4' energy: -13.320
flat angles C4'-P-C4' energy: -20.886
flat angles P-C4'-P energy: -11.900
tors. eta vs tors. theta energy: -16.482
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: 1
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -240.621284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.621284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.621284 (E_RNA)
where:
Base-Base interactions energy: -154.131
where: short stacking energy: -69.849
Base-Backbone interact. energy: 0.375
local terms energy: -86.865261
where:
bonds (distance) C4'-P energy: -20.860
bonds (distance) P-C4' energy: -16.316
flat angles C4'-P-C4' energy: -16.021
flat angles P-C4'-P energy: -14.148
tors. eta vs tors. theta energy: -19.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -198.187180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.187180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.187180 (E_RNA)
where:
Base-Base interactions energy: -120.467
where: short stacking energy: -57.657
Base-Backbone interact. energy: -0.327
local terms energy: -77.392968
where:
bonds (distance) C4'-P energy: -19.569
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -22.235
flat angles P-C4'-P energy: -11.660
tors. eta vs tors. theta energy: -7.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -123.489915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.489915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.489915 (E_RNA)
where:
Base-Base interactions energy: -44.599
where: short stacking energy: -39.305
Base-Backbone interact. energy: -0.188
local terms energy: -78.703656
where:
bonds (distance) C4'-P energy: -19.669
bonds (distance) P-C4' energy: -26.700
flat angles C4'-P-C4' energy: -18.509
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -2.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -367.293601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.293601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.293601 (E_RNA)
where:
Base-Base interactions energy: -253.924
where: short stacking energy: -99.860
Base-Backbone interact. energy: -0.058
local terms energy: -113.312167
where:
bonds (distance) C4'-P energy: -22.268
bonds (distance) P-C4' energy: -21.612
flat angles C4'-P-C4' energy: -21.637
flat angles P-C4'-P energy: -14.273
tors. eta vs tors. theta energy: -33.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -339.128580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.128580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.128580 (E_RNA)
where:
Base-Base interactions energy: -229.094
where: short stacking energy: -99.353
Base-Backbone interact. energy: 1.481
local terms energy: -111.515138
where:
bonds (distance) C4'-P energy: -18.476
bonds (distance) P-C4' energy: -22.613
flat angles C4'-P-C4' energy: -25.835
flat angles P-C4'-P energy: -18.418
tors. eta vs tors. theta energy: -26.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -334.927236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.927236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.927236 (E_RNA)
where:
Base-Base interactions energy: -224.962
where: short stacking energy: -99.750
Base-Backbone interact. energy: -0.190
local terms energy: -109.775476
where:
bonds (distance) C4'-P energy: -24.396
bonds (distance) P-C4' energy: -20.532
flat angles C4'-P-C4' energy: -25.498
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -29.348
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: 437
Temperature: 1.050000
Total energy: -326.812938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.812938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.812938 (E_RNA)
where:
Base-Base interactions energy: -220.569
where: short stacking energy: -95.342
Base-Backbone interact. energy: -0.372
local terms energy: -105.871829
where:
bonds (distance) C4'-P energy: -20.914
bonds (distance) P-C4' energy: -23.411
flat angles C4'-P-C4' energy: -21.001
flat angles P-C4'-P energy: -12.465
tors. eta vs tors. theta energy: -28.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -265.638243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.638243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.638243 (E_RNA)
where:
Base-Base interactions energy: -171.987
where: short stacking energy: -71.833
Base-Backbone interact. energy: -0.569
local terms energy: -93.081884
where:
bonds (distance) C4'-P energy: -17.825
bonds (distance) P-C4' energy: -23.215
flat angles C4'-P-C4' energy: -20.836
flat angles P-C4'-P energy: -13.801
tors. eta vs tors. theta energy: -17.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -264.104662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.104662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.104662 (E_RNA)
where:
Base-Base interactions energy: -171.586
where: short stacking energy: -74.604
Base-Backbone interact. energy: -0.303
local terms energy: -92.215227
where:
bonds (distance) C4'-P energy: -23.887
bonds (distance) P-C4' energy: -21.028
flat angles C4'-P-C4' energy: -21.310
flat angles P-C4'-P energy: -11.758
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: 7, replica: 10
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -262.710633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.710633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.710633 (E_RNA)
where:
Base-Base interactions energy: -170.595
where: short stacking energy: -89.652
Base-Backbone interact. energy: -0.088
local terms energy: -92.027019
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -21.165
flat angles C4'-P-C4' energy: -16.820
flat angles P-C4'-P energy: -13.507
tors. eta vs tors. theta energy: -23.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -256.460961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.460961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.460961 (E_RNA)
where:
Base-Base interactions energy: -161.275
where: short stacking energy: -73.651
Base-Backbone interact. energy: -0.325
local terms energy: -94.860670
where:
bonds (distance) C4'-P energy: -15.587
bonds (distance) P-C4' energy: -23.303
flat angles C4'-P-C4' energy: -21.136
flat angles P-C4'-P energy: -16.627
tors. eta vs tors. theta energy: -18.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -225.282156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.282156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.282156 (E_RNA)
where:
Base-Base interactions energy: -140.082
where: short stacking energy: -51.106
Base-Backbone interact. energy: -0.595
local terms energy: -84.604919
where:
bonds (distance) C4'-P energy: -24.774
bonds (distance) P-C4' energy: -20.809
flat angles C4'-P-C4' energy: -18.153
flat angles P-C4'-P energy: -13.769
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: 10, replica: 2
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -108.370784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.370784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.370784 (E_RNA)
where:
Base-Base interactions energy: -53.780
where: short stacking energy: -33.426
Base-Backbone interact. energy: 0.477
local terms energy: -55.067406
where:
bonds (distance) C4'-P energy: -12.705
bonds (distance) P-C4' energy: -21.025
flat angles C4'-P-C4' energy: -15.565
flat angles P-C4'-P energy: -7.680
tors. eta vs tors. theta energy: 1.907
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: 5
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -370.655633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.655633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.655633 (E_RNA)
where:
Base-Base interactions energy: -250.381
where: short stacking energy: -106.842
Base-Backbone interact. energy: -0.248
local terms energy: -120.026496
where:
bonds (distance) C4'-P energy: -20.135
bonds (distance) P-C4' energy: -24.855
flat angles C4'-P-C4' energy: -24.794
flat angles P-C4'-P energy: -16.946
tors. eta vs tors. theta energy: -33.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -345.302689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.302689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.302689 (E_RNA)
where:
Base-Base interactions energy: -223.776
where: short stacking energy: -102.451
Base-Backbone interact. energy: -0.258
local terms energy: -121.268685
where:
bonds (distance) C4'-P energy: -24.146
bonds (distance) P-C4' energy: -27.091
flat angles C4'-P-C4' energy: -21.268
flat angles P-C4'-P energy: -17.908
tors. eta vs tors. theta energy: -30.856
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: 4
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -340.072630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.072630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.072630 (E_RNA)
where:
Base-Base interactions energy: -227.494
where: short stacking energy: -106.108
Base-Backbone interact. energy: -0.128
local terms energy: -112.451333
where:
bonds (distance) C4'-P energy: -21.063
bonds (distance) P-C4' energy: -24.774
flat angles C4'-P-C4' energy: -17.965
flat angles P-C4'-P energy: -16.754
tors. eta vs tors. theta energy: -31.895
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: 8
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -289.158323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.158323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.158323 (E_RNA)
where:
Base-Base interactions energy: -190.890
where: short stacking energy: -81.889
Base-Backbone interact. energy: -0.404
local terms energy: -97.864330
where:
bonds (distance) C4'-P energy: -19.691
bonds (distance) P-C4' energy: -28.196
flat angles C4'-P-C4' energy: -20.268
flat angles P-C4'-P energy: -7.885
tors. eta vs tors. theta energy: -21.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -282.946592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.946592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.946592 (E_RNA)
where:
Base-Base interactions energy: -183.764
where: short stacking energy: -87.145
Base-Backbone interact. energy: -0.147
local terms energy: -99.035636
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -21.484
flat angles C4'-P-C4' energy: -20.878
flat angles P-C4'-P energy: -15.537
tors. eta vs tors. theta energy: -25.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -253.413454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.413454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.413454 (E_RNA)
where:
Base-Base interactions energy: -154.547
where: short stacking energy: -68.861
Base-Backbone interact. energy: -0.570
local terms energy: -98.297059
where:
bonds (distance) C4'-P energy: -18.495
bonds (distance) P-C4' energy: -23.893
flat angles C4'-P-C4' energy: -23.129
flat angles P-C4'-P energy: -15.670
tors. eta vs tors. theta energy: -17.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -263.164809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.164809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.164809 (E_RNA)
where:
Base-Base interactions energy: -169.788
where: short stacking energy: -83.433
Base-Backbone interact. energy: -0.074
local terms energy: -93.303101
where:
bonds (distance) C4'-P energy: -19.168
bonds (distance) P-C4' energy: -21.513
flat angles C4'-P-C4' energy: -13.109
flat angles P-C4'-P energy: -17.795
tors. eta vs tors. theta energy: -21.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -252.549926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.549926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.549926 (E_RNA)
where:
Base-Base interactions energy: -156.857
where: short stacking energy: -70.529
Base-Backbone interact. energy: -1.365
local terms energy: -94.327427
where:
bonds (distance) C4'-P energy: -21.784
bonds (distance) P-C4' energy: -20.238
flat angles C4'-P-C4' energy: -24.019
flat angles P-C4'-P energy: -10.449
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: 9, replica: 2
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -116.971202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.971202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.971202 (E_RNA)
where:
Base-Base interactions energy: -51.101
where: short stacking energy: -27.637
Base-Backbone interact. energy: -0.412
local terms energy: -65.458138
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -20.593
flat angles C4'-P-C4' energy: -17.063
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: -4.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -229.693051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.693051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.693051 (E_RNA)
where:
Base-Base interactions energy: -147.333
where: short stacking energy: -62.607
Base-Backbone interact. energy: -1.073
local terms energy: -81.287454
where:
bonds (distance) C4'-P energy: -18.429
bonds (distance) P-C4' energy: -18.667
flat angles C4'-P-C4' energy: -20.673
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: -13.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -361.813598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.813598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.813598 (E_RNA)
where:
Base-Base interactions energy: -244.669
where: short stacking energy: -104.854
Base-Backbone interact. energy: -0.085
local terms energy: -117.060437
where:
bonds (distance) C4'-P energy: -21.590
bonds (distance) P-C4' energy: -23.251
flat angles C4'-P-C4' energy: -25.829
flat angles P-C4'-P energy: -13.018
tors. eta vs tors. theta energy: -33.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -335.129970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.129970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.129970 (E_RNA)
where:
Base-Base interactions energy: -220.106
where: short stacking energy: -95.163
Base-Backbone interact. energy: -0.793
local terms energy: -114.231592
where:
bonds (distance) C4'-P energy: -22.460
bonds (distance) P-C4' energy: -24.508
flat angles C4'-P-C4' energy: -23.694
flat angles P-C4'-P energy: -15.233
tors. eta vs tors. theta energy: -28.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -345.642378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.642378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.642378 (E_RNA)
where:
Base-Base interactions energy: -234.472
where: short stacking energy: -101.634
Base-Backbone interact. energy: -0.072
local terms energy: -111.097699
where:
bonds (distance) C4'-P energy: -24.123
bonds (distance) P-C4' energy: -12.843
flat angles C4'-P-C4' energy: -24.467
flat angles P-C4'-P energy: -18.337
tors. eta vs tors. theta energy: -31.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -269.354422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.354422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.354422 (E_RNA)
where:
Base-Base interactions energy: -169.990
where: short stacking energy: -76.544
Base-Backbone interact. energy: -0.101
local terms energy: -99.262784
where:
bonds (distance) C4'-P energy: -23.899
bonds (distance) P-C4' energy: -24.831
flat angles C4'-P-C4' energy: -18.283
flat angles P-C4'-P energy: -14.456
tors. eta vs tors. theta energy: -17.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -282.361140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.361140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.361140 (E_RNA)
where:
Base-Base interactions energy: -196.139
where: short stacking energy: -74.881
Base-Backbone interact. energy: -0.153
local terms energy: -86.068607
where:
bonds (distance) C4'-P energy: -20.596
bonds (distance) P-C4' energy: -21.403
flat angles C4'-P-C4' energy: -18.210
flat angles P-C4'-P energy: -9.048
tors. eta vs tors. theta energy: -16.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -266.385361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.385361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.385361 (E_RNA)
where:
Base-Base interactions energy: -174.228
where: short stacking energy: -78.346
Base-Backbone interact. energy: -0.164
local terms energy: -91.993011
where:
bonds (distance) C4'-P energy: -20.878
bonds (distance) P-C4' energy: -22.930
flat angles C4'-P-C4' energy: -23.982
flat angles P-C4'-P energy: -7.099
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: 7, replica: 9
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -263.860856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.860856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.860856 (E_RNA)
where:
Base-Base interactions energy: -167.017
where: short stacking energy: -80.417
Base-Backbone interact. energy: -0.262
local terms energy: -96.581828
where:
bonds (distance) C4'-P energy: -21.911
bonds (distance) P-C4' energy: -19.741
flat angles C4'-P-C4' energy: -19.531
flat angles P-C4'-P energy: -14.347
tors. eta vs tors. theta energy: -21.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -137.426109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.426109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.426109 (E_RNA)
where:
Base-Base interactions energy: -52.376
where: short stacking energy: -48.463
Base-Backbone interact. energy: 1.676
local terms energy: -86.726429
where:
bonds (distance) C4'-P energy: -25.854
bonds (distance) P-C4' energy: -24.626
flat angles C4'-P-C4' energy: -18.273
flat angles P-C4'-P energy: -15.560
tors. eta vs tors. theta energy: -2.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -202.779267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.779267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.779267 (E_RNA)
where:
Base-Base interactions energy: -114.255
where: short stacking energy: -61.598
Base-Backbone interact. energy: -0.375
local terms energy: -88.149312
where:
bonds (distance) C4'-P energy: -20.653
bonds (distance) P-C4' energy: -20.538
flat angles C4'-P-C4' energy: -23.447
flat angles P-C4'-P energy: -15.514
tors. eta vs tors. theta energy: -7.997
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: 6
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -235.151621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.151621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.151621 (E_RNA)
where:
Base-Base interactions energy: -161.298
where: short stacking energy: -78.862
Base-Backbone interact. energy: -0.651
local terms energy: -73.202884
where:
bonds (distance) C4'-P energy: -15.198
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -9.966
tors. eta vs tors. theta energy: -16.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -364.508190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.508190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.508190 (E_RNA)
where:
Base-Base interactions energy: -250.957
where: short stacking energy: -114.249
Base-Backbone interact. energy: -0.059
local terms energy: -113.492121
where:
bonds (distance) C4'-P energy: -20.520
bonds (distance) P-C4' energy: -19.874
flat angles C4'-P-C4' energy: -23.555
flat angles P-C4'-P energy: -15.456
tors. eta vs tors. theta energy: -34.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -346.067395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.067395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.067395 (E_RNA)
where:
Base-Base interactions energy: -232.003
where: short stacking energy: -104.187
Base-Backbone interact. energy: -0.119
local terms energy: -113.945022
where:
bonds (distance) C4'-P energy: -19.570
bonds (distance) P-C4' energy: -25.749
flat angles C4'-P-C4' energy: -22.380
flat angles P-C4'-P energy: -16.658
tors. eta vs tors. theta energy: -29.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -259.391248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.391248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.391248 (E_RNA)
where:
Base-Base interactions energy: -164.069
where: short stacking energy: -77.139
Base-Backbone interact. energy: 0.143
local terms energy: -95.464467
where:
bonds (distance) C4'-P energy: -20.285
bonds (distance) P-C4' energy: -24.930
flat angles C4'-P-C4' energy: -24.313
flat angles P-C4'-P energy: -16.002
tors. eta vs tors. theta energy: -9.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -330.850321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.850321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.850321 (E_RNA)
where:
Base-Base interactions energy: -214.187
where: short stacking energy: -87.588
Base-Backbone interact. energy: -0.271
local terms energy: -116.392231
where:
bonds (distance) C4'-P energy: -22.373
bonds (distance) P-C4' energy: -20.095
flat angles C4'-P-C4' energy: -25.808
flat angles P-C4'-P energy: -20.230
tors. eta vs tors. theta energy: -27.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -272.094713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.094713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.094713 (E_RNA)
where:
Base-Base interactions energy: -180.825
where: short stacking energy: -84.707
Base-Backbone interact. energy: -0.271
local terms energy: -90.998258
where:
bonds (distance) C4'-P energy: -22.863
bonds (distance) P-C4' energy: -20.657
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -14.288
tors. eta vs tors. theta energy: -17.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -302.280828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.280828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.280828 (E_RNA)
where:
Base-Base interactions energy: -197.327
where: short stacking energy: -90.912
Base-Backbone interact. energy: -0.726
local terms energy: -104.227713
where:
bonds (distance) C4'-P energy: -23.874
bonds (distance) P-C4' energy: -20.604
flat angles C4'-P-C4' energy: -25.672
flat angles P-C4'-P energy: -8.007
tors. eta vs tors. theta energy: -26.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -253.440930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.440930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.440930 (E_RNA)
where:
Base-Base interactions energy: -165.749
where: short stacking energy: -78.964
Base-Backbone interact. energy: -0.004
local terms energy: -87.688376
where:
bonds (distance) C4'-P energy: -18.124
bonds (distance) P-C4' energy: -20.031
flat angles C4'-P-C4' energy: -14.922
flat angles P-C4'-P energy: -10.323
tors. eta vs tors. theta energy: -24.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -134.155515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.155515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.155515 (E_RNA)
where:
Base-Base interactions energy: -47.874
where: short stacking energy: -41.738
Base-Backbone interact. energy: 0.995
local terms energy: -87.276490
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -25.751
flat angles C4'-P-C4' energy: -21.421
flat angles P-C4'-P energy: -14.891
tors. eta vs tors. theta energy: -8.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -210.410656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.410656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.410656 (E_RNA)
where:
Base-Base interactions energy: -119.264
where: short stacking energy: -47.629
Base-Backbone interact. energy: -1.690
local terms energy: -89.456573
where:
bonds (distance) C4'-P energy: -24.734
bonds (distance) P-C4' energy: -19.410
flat angles C4'-P-C4' energy: -17.672
flat angles P-C4'-P energy: -17.277
tors. eta vs tors. theta energy: -10.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -229.351394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.351394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.351394 (E_RNA)
where:
Base-Base interactions energy: -144.950
where: short stacking energy: -63.760
Base-Backbone interact. energy: -0.853
local terms energy: -83.548367
where:
bonds (distance) C4'-P energy: -16.922
bonds (distance) P-C4' energy: -18.685
flat angles C4'-P-C4' energy: -20.681
flat angles P-C4'-P energy: -15.826
tors. eta vs tors. theta energy: -11.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -371.813514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.813514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.813514 (E_RNA)
where:
Base-Base interactions energy: -252.222
where: short stacking energy: -112.293
Base-Backbone interact. energy: -0.118
local terms energy: -119.473931
where:
bonds (distance) C4'-P energy: -23.631
bonds (distance) P-C4' energy: -24.335
flat angles C4'-P-C4' energy: -24.867
flat angles P-C4'-P energy: -14.865
tors. eta vs tors. theta energy: -31.776
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: 4
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -353.239411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.239411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.239411 (E_RNA)
where:
Base-Base interactions energy: -240.836
where: short stacking energy: -103.506
Base-Backbone interact. energy: 1.147
local terms energy: -113.550411
where:
bonds (distance) C4'-P energy: -22.173
bonds (distance) P-C4' energy: -25.493
flat angles C4'-P-C4' energy: -23.165
flat angles P-C4'-P energy: -16.533
tors. eta vs tors. theta energy: -26.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -293.501370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.501370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.501370 (E_RNA)
where:
Base-Base interactions energy: -193.114
where: short stacking energy: -102.011
Base-Backbone interact. energy: -0.083
local terms energy: -100.304219
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -21.800
flat angles C4'-P-C4' energy: -24.023
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: -25.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -326.265274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.265274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.265274 (E_RNA)
where:
Base-Base interactions energy: -225.339
where: short stacking energy: -88.053
Base-Backbone interact. energy: -0.674
local terms energy: -100.251444
where:
bonds (distance) C4'-P energy: -17.067
bonds (distance) P-C4' energy: -17.761
flat angles C4'-P-C4' energy: -22.244
flat angles P-C4'-P energy: -19.094
tors. eta vs tors. theta energy: -24.087
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: 10
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -260.168406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.168406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.168406 (E_RNA)
where:
Base-Base interactions energy: -174.798
where: short stacking energy: -63.435
Base-Backbone interact. energy: -0.158
local terms energy: -85.212067
where:
bonds (distance) C4'-P energy: -21.754
bonds (distance) P-C4' energy: -20.797
flat angles C4'-P-C4' energy: -21.132
flat angles P-C4'-P energy: -13.996
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: 6, replica: 8
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -258.605832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.605832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.605832 (E_RNA)
where:
Base-Base interactions energy: -170.871
where: short stacking energy: -70.354
Base-Backbone interact. energy: -0.056
local terms energy: -87.678668
where:
bonds (distance) C4'-P energy: -15.880
bonds (distance) P-C4' energy: -18.497
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -17.208
tors. eta vs tors. theta energy: -20.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -255.368754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.368754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.368754 (E_RNA)
where:
Base-Base interactions energy: -165.277
where: short stacking energy: -74.437
Base-Backbone interact. energy: -0.128
local terms energy: -89.963889
where:
bonds (distance) C4'-P energy: -20.081
bonds (distance) P-C4' energy: -22.463
flat angles C4'-P-C4' energy: -18.516
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -17.168
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: 1
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -208.400195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.400195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.400195 (E_RNA)
where:
Base-Base interactions energy: -122.845
where: short stacking energy: -68.467
Base-Backbone interact. energy: -0.213
local terms energy: -85.342965
where:
bonds (distance) C4'-P energy: -13.472
bonds (distance) P-C4' energy: -23.191
flat angles C4'-P-C4' energy: -19.995
flat angles P-C4'-P energy: -17.880
tors. eta vs tors. theta energy: -10.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -118.270295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.270295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.270295 (E_RNA)
where:
Base-Base interactions energy: -43.718
where: short stacking energy: -27.769
Base-Backbone interact. energy: 1.851
local terms energy: -76.403548
where:
bonds (distance) C4'-P energy: -20.525
bonds (distance) P-C4' energy: -20.136
flat angles C4'-P-C4' energy: -19.817
flat angles P-C4'-P energy: -17.045
tors. eta vs tors. theta energy: 1.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -238.780211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.780211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.780211 (E_RNA)
where:
Base-Base interactions energy: -150.012
where: short stacking energy: -60.794
Base-Backbone interact. energy: -0.502
local terms energy: -88.265852
where:
bonds (distance) C4'-P energy: -15.897
bonds (distance) P-C4' energy: -18.310
flat angles C4'-P-C4' energy: -24.075
flat angles P-C4'-P energy: -12.443
tors. eta vs tors. theta energy: -17.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -369.037243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.037243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.037243 (E_RNA)
where:
Base-Base interactions energy: -253.239
where: short stacking energy: -117.675
Base-Backbone interact. energy: -0.009
local terms energy: -115.788616
where:
bonds (distance) C4'-P energy: -26.503
bonds (distance) P-C4' energy: -16.634
flat angles C4'-P-C4' energy: -22.900
flat angles P-C4'-P energy: -15.741
tors. eta vs tors. theta energy: -34.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -349.838521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.838521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.838521 (E_RNA)
where:
Base-Base interactions energy: -233.715
where: short stacking energy: -100.363
Base-Backbone interact. energy: -0.774
local terms energy: -115.349194
where:
bonds (distance) C4'-P energy: -22.400
bonds (distance) P-C4' energy: -21.368
flat angles C4'-P-C4' energy: -25.133
flat angles P-C4'-P energy: -18.781
tors. eta vs tors. theta energy: -27.666
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: 7
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -330.557305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.557305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.557305 (E_RNA)
where:
Base-Base interactions energy: -222.352
where: short stacking energy: -102.255
Base-Backbone interact. energy: -0.313
local terms energy: -107.892505
where:
bonds (distance) C4'-P energy: -19.307
bonds (distance) P-C4' energy: -22.128
flat angles C4'-P-C4' energy: -23.463
flat angles P-C4'-P energy: -13.041
tors. eta vs tors. theta energy: -29.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -287.251455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.251455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.251455 (E_RNA)
where:
Base-Base interactions energy: -186.758
where: short stacking energy: -97.832
Base-Backbone interact. energy: 0.555
local terms energy: -101.047731
where:
bonds (distance) C4'-P energy: -23.901
bonds (distance) P-C4' energy: -20.762
flat angles C4'-P-C4' energy: -17.835
flat angles P-C4'-P energy: -13.699
tors. eta vs tors. theta energy: -24.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -269.115284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.115284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.115284 (E_RNA)
where:
Base-Base interactions energy: -168.272
where: short stacking energy: -92.127
Base-Backbone interact. energy: -0.044
local terms energy: -100.799685
where:
bonds (distance) C4'-P energy: -20.913
bonds (distance) P-C4' energy: -22.917
flat angles C4'-P-C4' energy: -16.723
flat angles P-C4'-P energy: -16.794
tors. eta vs tors. theta energy: -23.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -262.095862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.095862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.095862 (E_RNA)
where:
Base-Base interactions energy: -167.159
where: short stacking energy: -71.960
Base-Backbone interact. energy: -0.174
local terms energy: -94.763176
where:
bonds (distance) C4'-P energy: -23.999
bonds (distance) P-C4' energy: -24.010
flat angles C4'-P-C4' energy: -22.883
flat angles P-C4'-P energy: -8.423
tors. eta vs tors. theta energy: -15.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -261.023435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.023435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.023435 (E_RNA)
where:
Base-Base interactions energy: -162.522
where: short stacking energy: -79.954
Base-Backbone interact. energy: -0.307
local terms energy: -98.193998
where:
bonds (distance) C4'-P energy: -21.221
bonds (distance) P-C4' energy: -22.362
flat angles C4'-P-C4' energy: -20.470
flat angles P-C4'-P energy: -15.974
tors. eta vs tors. theta energy: -18.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -197.588731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.588731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.588731 (E_RNA)
where:
Base-Base interactions energy: -121.042
where: short stacking energy: -56.018
Base-Backbone interact. energy: 3.390
local terms energy: -79.936698
where:
bonds (distance) C4'-P energy: -21.787
bonds (distance) P-C4' energy: -22.065
flat angles C4'-P-C4' energy: -20.895
flat angles P-C4'-P energy: -7.251
tors. eta vs tors. theta energy: -7.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -204.590474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.590474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.590474 (E_RNA)
where:
Base-Base interactions energy: -153.225
where: short stacking energy: -58.502
Base-Backbone interact. energy: -0.583
local terms energy: -50.782883
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -9.198
flat angles C4'-P-C4' energy: -18.431
flat angles P-C4'-P energy: -4.466
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: 10, replica: 2
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -104.393501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.393501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.393501 (E_RNA)
where:
Base-Base interactions energy: -39.014
where: short stacking energy: -31.328
Base-Backbone interact. energy: -0.183
local terms energy: -65.196959
where:
bonds (distance) C4'-P energy: -17.800
bonds (distance) P-C4' energy: -18.776
flat angles C4'-P-C4' energy: -20.956
flat angles P-C4'-P energy: -9.445
tors. eta vs tors. theta energy: 1.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -374.363146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.363146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.363146 (E_RNA)
where:
Base-Base interactions energy: -250.893
where: short stacking energy: -109.029
Base-Backbone interact. energy: -0.132
local terms energy: -123.337729
where:
bonds (distance) C4'-P energy: -24.800
bonds (distance) P-C4' energy: -22.464
flat angles C4'-P-C4' energy: -26.142
flat angles P-C4'-P energy: -16.177
tors. eta vs tors. theta energy: -33.754
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: 4
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -339.064869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.064869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.064869 (E_RNA)
where:
Base-Base interactions energy: -230.082
where: short stacking energy: -101.264
Base-Backbone interact. energy: -0.838
local terms energy: -108.144986
where:
bonds (distance) C4'-P energy: -23.050
bonds (distance) P-C4' energy: -23.557
flat angles C4'-P-C4' energy: -21.763
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -29.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -340.551339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.551339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.551339 (E_RNA)
where:
Base-Base interactions energy: -236.055
where: short stacking energy: -101.567
Base-Backbone interact. energy: -0.210
local terms energy: -104.286374
where:
bonds (distance) C4'-P energy: -20.227
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -26.196
flat angles P-C4'-P energy: -13.813
tors. eta vs tors. theta energy: -26.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -295.205073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.205073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.205073 (E_RNA)
where:
Base-Base interactions energy: -192.610
where: short stacking energy: -80.027
Base-Backbone interact. energy: 2.615
local terms energy: -105.210374
where:
bonds (distance) C4'-P energy: -24.015
bonds (distance) P-C4' energy: -21.462
flat angles C4'-P-C4' energy: -21.963
flat angles P-C4'-P energy: -17.362
tors. eta vs tors. theta energy: -20.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -271.824045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.824045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.824045 (E_RNA)
where:
Base-Base interactions energy: -175.296
where: short stacking energy: -83.321
Base-Backbone interact. energy: -0.514
local terms energy: -96.013770
where:
bonds (distance) C4'-P energy: -20.638
bonds (distance) P-C4' energy: -20.647
flat angles C4'-P-C4' energy: -20.816
flat angles P-C4'-P energy: -14.860
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: 6, replica: 9
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -253.768088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.768088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.768088 (E_RNA)
where:
Base-Base interactions energy: -168.639
where: short stacking energy: -61.833
Base-Backbone interact. energy: 3.003
local terms energy: -88.131964
where:
bonds (distance) C4'-P energy: -17.941
bonds (distance) P-C4' energy: -23.603
flat angles C4'-P-C4' energy: -18.465
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: -17.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -257.865726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.865726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.865726 (E_RNA)
where:
Base-Base interactions energy: -168.213
where: short stacking energy: -70.828
Base-Backbone interact. energy: -0.278
local terms energy: -89.374436
where:
bonds (distance) C4'-P energy: -18.559
bonds (distance) P-C4' energy: -25.451
flat angles C4'-P-C4' energy: -21.924
flat angles P-C4'-P energy: -7.135
tors. eta vs tors. theta energy: -16.305
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: 6
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -205.279096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.279096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.279096 (E_RNA)
where:
Base-Base interactions energy: -129.936
where: short stacking energy: -53.573
Base-Backbone interact. energy: 1.211
local terms energy: -76.553643
where:
bonds (distance) C4'-P energy: -23.150
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -11.132
tors. eta vs tors. theta energy: -11.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -203.333097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.333097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.333097 (E_RNA)
where:
Base-Base interactions energy: -120.939
where: short stacking energy: -59.451
Base-Backbone interact. energy: -0.491
local terms energy: -81.902568
where:
bonds (distance) C4'-P energy: -19.584
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -18.126
flat angles P-C4'-P energy: -19.162
tors. eta vs tors. theta energy: -7.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -116.700866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.700866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.700866 (E_RNA)
where:
Base-Base interactions energy: -45.022
where: short stacking energy: -33.675
Base-Backbone interact. energy: -0.737
local terms energy: -70.941641
where:
bonds (distance) C4'-P energy: -19.288
bonds (distance) P-C4' energy: -21.325
flat angles C4'-P-C4' energy: -19.355
flat angles P-C4'-P energy: -14.237
tors. eta vs tors. theta energy: 3.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -373.816549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.816549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.816549 (E_RNA)
where:
Base-Base interactions energy: -256.732
where: short stacking energy: -109.551
Base-Backbone interact. energy: -0.730
local terms energy: -116.354979
where:
bonds (distance) C4'-P energy: -19.760
bonds (distance) P-C4' energy: -18.784
flat angles C4'-P-C4' energy: -25.442
flat angles P-C4'-P energy: -17.291
tors. eta vs tors. theta energy: -35.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -334.032616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.032616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.032616 (E_RNA)
where:
Base-Base interactions energy: -219.177
where: short stacking energy: -92.350
Base-Backbone interact. energy: -0.195
local terms energy: -114.659992
where:
bonds (distance) C4'-P energy: -27.136
bonds (distance) P-C4' energy: -19.108
flat angles C4'-P-C4' energy: -23.847
flat angles P-C4'-P energy: -19.390
tors. eta vs tors. theta energy: -25.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -288.481544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.481544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.481544 (E_RNA)
where:
Base-Base interactions energy: -195.596
where: short stacking energy: -86.851
Base-Backbone interact. energy: 0.398
local terms energy: -93.283191
where:
bonds (distance) C4'-P energy: -21.553
bonds (distance) P-C4' energy: -19.173
flat angles C4'-P-C4' energy: -20.267
flat angles P-C4'-P energy: -12.269
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: 4, replica: 7
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -315.842808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.842808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.842808 (E_RNA)
where:
Base-Base interactions energy: -211.518
where: short stacking energy: -95.936
Base-Backbone interact. energy: -0.699
local terms energy: -103.625980
where:
bonds (distance) C4'-P energy: -22.326
bonds (distance) P-C4' energy: -23.701
flat angles C4'-P-C4' energy: -22.867
flat angles P-C4'-P energy: -13.004
tors. eta vs tors. theta energy: -21.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -260.981623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.981623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.981623 (E_RNA)
where:
Base-Base interactions energy: -161.864
where: short stacking energy: -72.964
Base-Backbone interact. energy: 0.030
local terms energy: -99.147604
where:
bonds (distance) C4'-P energy: -21.229
bonds (distance) P-C4' energy: -25.684
flat angles C4'-P-C4' energy: -22.744
flat angles P-C4'-P energy: -16.137
tors. eta vs tors. theta energy: -13.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -265.147055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.147055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.147055 (E_RNA)
where:
Base-Base interactions energy: -169.134
where: short stacking energy: -78.900
Base-Backbone interact. energy: -1.437
local terms energy: -94.575617
where:
bonds (distance) C4'-P energy: -22.930
bonds (distance) P-C4' energy: -20.650
flat angles C4'-P-C4' energy: -19.575
flat angles P-C4'-P energy: -17.595
tors. eta vs tors. theta energy: -13.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -283.036753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.036753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.036753 (E_RNA)
where:
Base-Base interactions energy: -181.163
where: short stacking energy: -89.830
Base-Backbone interact. energy: -1.734
local terms energy: -100.139254
where:
bonds (distance) C4'-P energy: -22.426
bonds (distance) P-C4' energy: -18.534
flat angles C4'-P-C4' energy: -17.003
flat angles P-C4'-P energy: -16.618
tors. eta vs tors. theta energy: -25.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -240.630983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.630983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.630983 (E_RNA)
where:
Base-Base interactions energy: -159.906
where: short stacking energy: -63.517
Base-Backbone interact. energy: -0.808
local terms energy: -79.917456
where:
bonds (distance) C4'-P energy: -20.173
bonds (distance) P-C4' energy: -16.370
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -12.504
tors. eta vs tors. theta energy: -15.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -189.387192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.387192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.387192 (E_RNA)
where:
Base-Base interactions energy: -106.087
where: short stacking energy: -50.942
Base-Backbone interact. energy: -0.492
local terms energy: -82.808662
where:
bonds (distance) C4'-P energy: -21.546
bonds (distance) P-C4' energy: -23.685
flat angles C4'-P-C4' energy: -15.141
flat angles P-C4'-P energy: -11.946
tors. eta vs tors. theta energy: -10.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -109.705529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.705529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.705529 (E_RNA)
where:
Base-Base interactions energy: -38.172
where: short stacking energy: -36.126
Base-Backbone interact. energy: -0.206
local terms energy: -71.327404
where:
bonds (distance) C4'-P energy: -12.899
bonds (distance) P-C4' energy: -22.431
flat angles C4'-P-C4' energy: -12.401
flat angles P-C4'-P energy: -18.815
tors. eta vs tors. theta energy: -4.781
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: 5
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -372.745916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.745916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.745916 (E_RNA)
where:
Base-Base interactions energy: -253.992
where: short stacking energy: -113.225
Base-Backbone interact. energy: -0.011
local terms energy: -118.743521
where:
bonds (distance) C4'-P energy: -21.588
bonds (distance) P-C4' energy: -24.987
flat angles C4'-P-C4' energy: -25.300
flat angles P-C4'-P energy: -13.803
tors. eta vs tors. theta energy: -33.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -322.064489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.064489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.064489 (E_RNA)
where:
Base-Base interactions energy: -215.492
where: short stacking energy: -98.403
Base-Backbone interact. energy: -0.128
local terms energy: -106.443886
where:
bonds (distance) C4'-P energy: -23.477
bonds (distance) P-C4' energy: -24.476
flat angles C4'-P-C4' energy: -18.917
flat angles P-C4'-P energy: -15.617
tors. eta vs tors. theta energy: -23.956
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: 3
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -295.890884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.890884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.890884 (E_RNA)
where:
Base-Base interactions energy: -186.683
where: short stacking energy: -93.350
Base-Backbone interact. energy: -0.167
local terms energy: -109.041549
where:
bonds (distance) C4'-P energy: -22.842
bonds (distance) P-C4' energy: -20.424
flat angles C4'-P-C4' energy: -23.281
flat angles P-C4'-P energy: -18.118
tors. eta vs tors. theta energy: -24.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -271.147119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.147119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.147119 (E_RNA)
where:
Base-Base interactions energy: -174.443
where: short stacking energy: -84.922
Base-Backbone interact. energy: -0.036
local terms energy: -96.667679
where:
bonds (distance) C4'-P energy: -20.734
bonds (distance) P-C4' energy: -18.723
flat angles C4'-P-C4' energy: -20.569
flat angles P-C4'-P energy: -15.408
tors. eta vs tors. theta energy: -21.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -309.840480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.840480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.840480 (E_RNA)
where:
Base-Base interactions energy: -211.059
where: short stacking energy: -80.751
Base-Backbone interact. energy: -0.672
local terms energy: -98.109309
where:
bonds (distance) C4'-P energy: -18.657
bonds (distance) P-C4' energy: -24.904
flat angles C4'-P-C4' energy: -23.870
flat angles P-C4'-P energy: -12.001
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: 6, replica: 10
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -253.500758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.500758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.500758 (E_RNA)
where:
Base-Base interactions energy: -169.204
where: short stacking energy: -70.200
Base-Backbone interact. energy: -1.572
local terms energy: -82.725225
where:
bonds (distance) C4'-P energy: -19.626
bonds (distance) P-C4' energy: -16.825
flat angles C4'-P-C4' energy: -21.016
flat angles P-C4'-P energy: -16.251
tors. eta vs tors. theta energy: -9.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -251.111939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.111939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.111939 (E_RNA)
where:
Base-Base interactions energy: -153.793
where: short stacking energy: -74.987
Base-Backbone interact. energy: -1.225
local terms energy: -96.093781
where:
bonds (distance) C4'-P energy: -21.312
bonds (distance) P-C4' energy: -16.440
flat angles C4'-P-C4' energy: -21.741
flat angles P-C4'-P energy: -14.405
tors. eta vs tors. theta energy: -22.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -242.780042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.780042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.780042 (E_RNA)
where:
Base-Base interactions energy: -157.900
where: short stacking energy: -71.568
Base-Backbone interact. energy: 1.228
local terms energy: -86.108155
where:
bonds (distance) C4'-P energy: -21.797
bonds (distance) P-C4' energy: -22.527
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -11.281
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: 9, replica: 1
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -189.100528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.100528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.100528 (E_RNA)
where:
Base-Base interactions energy: -108.564
where: short stacking energy: -55.212
Base-Backbone interact. energy: -0.155
local terms energy: -80.380752
where:
bonds (distance) C4'-P energy: -20.975
bonds (distance) P-C4' energy: -25.087
flat angles C4'-P-C4' energy: -17.498
flat angles P-C4'-P energy: -9.116
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: 10, replica: 2
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -112.182971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.182971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.182971 (E_RNA)
where:
Base-Base interactions energy: -32.540
where: short stacking energy: -32.540
Base-Backbone interact. energy: -0.141
local terms energy: -79.501309
where:
bonds (distance) C4'-P energy: -20.737
bonds (distance) P-C4' energy: -23.813
flat angles C4'-P-C4' energy: -14.845
flat angles P-C4'-P energy: -13.854
tors. eta vs tors. theta energy: -6.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -375.333055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.333055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.333055 (E_RNA)
where:
Base-Base interactions energy: -253.207
where: short stacking energy: -107.288
Base-Backbone interact. energy: -0.757
local terms energy: -121.368249
where:
bonds (distance) C4'-P energy: -24.039
bonds (distance) P-C4' energy: -22.613
flat angles C4'-P-C4' energy: -24.756
flat angles P-C4'-P energy: -16.610
tors. eta vs tors. theta energy: -33.350
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: 4
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -339.746659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.746659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.746659 (E_RNA)
where:
Base-Base interactions energy: -232.331
where: short stacking energy: -107.249
Base-Backbone interact. energy: -0.830
local terms energy: -106.585339
where:
bonds (distance) C4'-P energy: -22.946
bonds (distance) P-C4' energy: -16.669
flat angles C4'-P-C4' energy: -22.160
flat angles P-C4'-P energy: -18.669
tors. eta vs tors. theta energy: -26.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -290.152355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.152355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.152355 (E_RNA)
where:
Base-Base interactions energy: -185.692
where: short stacking energy: -84.941
Base-Backbone interact. energy: -0.453
local terms energy: -104.008020
where:
bonds (distance) C4'-P energy: -19.436
bonds (distance) P-C4' energy: -27.418
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -14.753
tors. eta vs tors. theta energy: -20.374
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: 3
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -294.621741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.621741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.621741 (E_RNA)
where:
Base-Base interactions energy: -186.687
where: short stacking energy: -81.188
Base-Backbone interact. energy: -0.007
local terms energy: -107.927371
where:
bonds (distance) C4'-P energy: -24.462
bonds (distance) P-C4' energy: -21.649
flat angles C4'-P-C4' energy: -19.858
flat angles P-C4'-P energy: -16.065
tors. eta vs tors. theta energy: -25.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -280.157098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.157098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.157098 (E_RNA)
where:
Base-Base interactions energy: -181.885
where: short stacking energy: -82.230
Base-Backbone interact. energy: -0.045
local terms energy: -98.226954
where:
bonds (distance) C4'-P energy: -19.658
bonds (distance) P-C4' energy: -21.965
flat angles C4'-P-C4' energy: -18.665
flat angles P-C4'-P energy: -13.172
tors. eta vs tors. theta energy: -24.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -287.240799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.240799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.240799 (E_RNA)
where:
Base-Base interactions energy: -182.471
where: short stacking energy: -84.634
Base-Backbone interact. energy: -0.496
local terms energy: -104.274084
where:
bonds (distance) C4'-P energy: -22.938
bonds (distance) P-C4' energy: -20.502
flat angles C4'-P-C4' energy: -20.796
flat angles P-C4'-P energy: -19.888
tors. eta vs tors. theta energy: -20.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -250.327738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.327738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.327738 (E_RNA)
where:
Base-Base interactions energy: -171.912
where: short stacking energy: -77.387
Base-Backbone interact. energy: -0.263
local terms energy: -78.152422
where:
bonds (distance) C4'-P energy: -15.358
bonds (distance) P-C4' energy: -22.085
flat angles C4'-P-C4' energy: -18.549
flat angles P-C4'-P energy: -13.327
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: 8
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -227.047530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.047530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.047530 (E_RNA)
where:
Base-Base interactions energy: -133.872
where: short stacking energy: -64.810
Base-Backbone interact. energy: 4.713
local terms energy: -97.889208
where:
bonds (distance) C4'-P energy: -22.778
bonds (distance) P-C4' energy: -21.849
flat angles C4'-P-C4' energy: -20.019
flat angles P-C4'-P energy: -18.094
tors. eta vs tors. theta energy: -15.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -191.473598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.473598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.473598 (E_RNA)
where:
Base-Base interactions energy: -120.329
where: short stacking energy: -63.886
Base-Backbone interact. energy: -0.100
local terms energy: -71.044137
where:
bonds (distance) C4'-P energy: -10.670
bonds (distance) P-C4' energy: -23.198
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -12.266
tors. eta vs tors. theta energy: -11.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -114.089065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.089065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.089065 (E_RNA)
where:
Base-Base interactions energy: -33.404
where: short stacking energy: -32.955
Base-Backbone interact. energy: -0.181
local terms energy: -80.503631
where:
bonds (distance) C4'-P energy: -18.629
bonds (distance) P-C4' energy: -27.217
flat angles C4'-P-C4' energy: -20.353
flat angles P-C4'-P energy: -9.034
tors. eta vs tors. theta energy: -5.271
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: 5
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -366.632263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.632263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.632263 (E_RNA)
where:
Base-Base interactions energy: -255.602
where: short stacking energy: -111.827
Base-Backbone interact. energy: -0.363
local terms energy: -110.667982
where:
bonds (distance) C4'-P energy: -20.061
bonds (distance) P-C4' energy: -19.549
flat angles C4'-P-C4' energy: -23.640
flat angles P-C4'-P energy: -17.778
tors. eta vs tors. theta energy: -29.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -324.721830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.721830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.721830 (E_RNA)
where:
Base-Base interactions energy: -210.202
where: short stacking energy: -95.590
Base-Backbone interact. energy: -0.200
local terms energy: -114.319785
where:
bonds (distance) C4'-P energy: -24.226
bonds (distance) P-C4' energy: -22.005
flat angles C4'-P-C4' energy: -25.769
flat angles P-C4'-P energy: -17.221
tors. eta vs tors. theta energy: -25.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -344.762656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.762656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.762656 (E_RNA)
where:
Base-Base interactions energy: -231.229
where: short stacking energy: -98.837
Base-Backbone interact. energy: -0.645
local terms energy: -112.889171
where:
bonds (distance) C4'-P energy: -24.988
bonds (distance) P-C4' energy: -20.883
flat angles C4'-P-C4' energy: -18.032
flat angles P-C4'-P energy: -18.156
tors. eta vs tors. theta energy: -30.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -291.120971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.120971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.120971 (E_RNA)
where:
Base-Base interactions energy: -192.983
where: short stacking energy: -95.464
Base-Backbone interact. energy: -0.369
local terms energy: -97.768482
where:
bonds (distance) C4'-P energy: -16.931
bonds (distance) P-C4' energy: -18.387
flat angles C4'-P-C4' energy: -22.122
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -29.345
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: 3
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -275.969096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.969096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.969096 (E_RNA)
where:
Base-Base interactions energy: -182.851
where: short stacking energy: -89.466
Base-Backbone interact. energy: -0.057
local terms energy: -93.060418
where:
bonds (distance) C4'-P energy: -17.097
bonds (distance) P-C4' energy: -25.706
flat angles C4'-P-C4' energy: -16.554
flat angles P-C4'-P energy: -13.513
tors. eta vs tors. theta energy: -20.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -262.306748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.306748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.306748 (E_RNA)
where:
Base-Base interactions energy: -169.372
where: short stacking energy: -66.207
Base-Backbone interact. energy: -0.011
local terms energy: -92.923707
where:
bonds (distance) C4'-P energy: -19.238
bonds (distance) P-C4' energy: -24.324
flat angles C4'-P-C4' energy: -20.067
flat angles P-C4'-P energy: -12.129
tors. eta vs tors. theta energy: -17.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -279.825079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.825079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.825079 (E_RNA)
where:
Base-Base interactions energy: -184.341
where: short stacking energy: -68.770
Base-Backbone interact. energy: -1.508
local terms energy: -93.976537
where:
bonds (distance) C4'-P energy: -16.930
bonds (distance) P-C4' energy: -23.574
flat angles C4'-P-C4' energy: -21.399
flat angles P-C4'-P energy: -15.578
tors. eta vs tors. theta energy: -16.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -226.338537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.338537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.338537 (E_RNA)
where:
Base-Base interactions energy: -145.429
where: short stacking energy: -66.182
Base-Backbone interact. energy: -0.146
local terms energy: -80.763101
where:
bonds (distance) C4'-P energy: -22.089
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -12.383
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: 9, replica: 1
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -208.751704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.751704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.751704 (E_RNA)
where:
Base-Base interactions energy: -129.991
where: short stacking energy: -55.392
Base-Backbone interact. energy: -0.306
local terms energy: -78.454648
where:
bonds (distance) C4'-P energy: -23.813
bonds (distance) P-C4' energy: -25.564
flat angles C4'-P-C4' energy: -16.873
flat angles P-C4'-P energy: -7.365
tors. eta vs tors. theta energy: -4.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -112.473899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.473899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.473899 (E_RNA)
where:
Base-Base interactions energy: -35.826
where: short stacking energy: -35.725
Base-Backbone interact. energy: -0.078
local terms energy: -76.569954
where:
bonds (distance) C4'-P energy: -20.454
bonds (distance) P-C4' energy: -24.775
flat angles C4'-P-C4' energy: -19.444
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -2.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -316.226930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.226930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.226930 (E_RNA)
where:
Base-Base interactions energy: -200.875
where: short stacking energy: -99.856
Base-Backbone interact. energy: -1.175
local terms energy: -114.177292
where:
bonds (distance) C4'-P energy: -24.681
bonds (distance) P-C4' energy: -25.317
flat angles C4'-P-C4' energy: -24.783
flat angles P-C4'-P energy: -16.314
tors. eta vs tors. theta energy: -23.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -377.786155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.786155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.786155 (E_RNA)
where:
Base-Base interactions energy: -255.130
where: short stacking energy: -110.700
Base-Backbone interact. energy: -0.070
local terms energy: -122.586046
where:
bonds (distance) C4'-P energy: -22.161
bonds (distance) P-C4' energy: -25.255
flat angles C4'-P-C4' energy: -26.089
flat angles P-C4'-P energy: -13.793
tors. eta vs tors. theta energy: -35.288
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: 4
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -334.805032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.805032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.805032 (E_RNA)
where:
Base-Base interactions energy: -223.112
where: short stacking energy: -96.120
Base-Backbone interact. energy: -1.140
local terms energy: -110.553232
where:
bonds (distance) C4'-P energy: -24.619
bonds (distance) P-C4' energy: -22.837
flat angles C4'-P-C4' energy: -21.912
flat angles P-C4'-P energy: -14.089
tors. eta vs tors. theta energy: -27.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -275.954738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.954738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.954738 (E_RNA)
where:
Base-Base interactions energy: -181.335
where: short stacking energy: -85.733
Base-Backbone interact. energy: -0.160
local terms energy: -94.458814
where:
bonds (distance) C4'-P energy: -13.272
bonds (distance) P-C4' energy: -18.524
flat angles C4'-P-C4' energy: -22.721
flat angles P-C4'-P energy: -16.927
tors. eta vs tors. theta energy: -23.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -270.563031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.563031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.563031 (E_RNA)
where:
Base-Base interactions energy: -164.179
where: short stacking energy: -76.865
Base-Backbone interact. energy: -0.236
local terms energy: -106.147642
where:
bonds (distance) C4'-P energy: -21.089
bonds (distance) P-C4' energy: -23.348
flat angles C4'-P-C4' energy: -18.677
flat angles P-C4'-P energy: -17.303
tors. eta vs tors. theta energy: -25.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -269.907814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.907814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.907814 (E_RNA)
where:
Base-Base interactions energy: -164.869
where: short stacking energy: -80.902
Base-Backbone interact. energy: -0.716
local terms energy: -104.322392
where:
bonds (distance) C4'-P energy: -21.750
bonds (distance) P-C4' energy: -24.668
flat angles C4'-P-C4' energy: -21.080
flat angles P-C4'-P energy: -14.965
tors. eta vs tors. theta energy: -21.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -261.427804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.427804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.427804 (E_RNA)
where:
Base-Base interactions energy: -182.977
where: short stacking energy: -64.881
Base-Backbone interact. energy: -0.665
local terms energy: -77.786292
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -21.751
flat angles C4'-P-C4' energy: -16.482
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -15.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -261.298958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.298958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.298958 (E_RNA)
where:
Base-Base interactions energy: -164.169
where: short stacking energy: -74.866
Base-Backbone interact. energy: -0.035
local terms energy: -97.095320
where:
bonds (distance) C4'-P energy: -19.283
bonds (distance) P-C4' energy: -21.260
flat angles C4'-P-C4' energy: -21.622
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: -24.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -221.549722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.549722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.549722 (E_RNA)
where:
Base-Base interactions energy: -143.645
where: short stacking energy: -55.097
Base-Backbone interact. energy: 3.693
local terms energy: -81.598648
where:
bonds (distance) C4'-P energy: -21.455
bonds (distance) P-C4' energy: -20.985
flat angles C4'-P-C4' energy: -19.175
flat angles P-C4'-P energy: -13.517
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: 2
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -111.122868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.122868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.122868 (E_RNA)
where:
Base-Base interactions energy: -40.338
where: short stacking energy: -33.608
Base-Backbone interact. energy: -0.199
local terms energy: -70.586215
where:
bonds (distance) C4'-P energy: -23.861
bonds (distance) P-C4' energy: -21.576
flat angles C4'-P-C4' energy: -13.138
flat angles P-C4'-P energy: -10.205
tors. eta vs tors. theta energy: -1.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -306.351946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.351946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.351946 (E_RNA)
where:
Base-Base interactions energy: -188.993
where: short stacking energy: -87.222
Base-Backbone interact. energy: -0.868
local terms energy: -116.490986
where:
bonds (distance) C4'-P energy: -24.976
bonds (distance) P-C4' energy: -25.401
flat angles C4'-P-C4' energy: -23.663
flat angles P-C4'-P energy: -16.209
tors. eta vs tors. theta energy: -26.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -361.114913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.114913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.114913 (E_RNA)
where:
Base-Base interactions energy: -248.487
where: short stacking energy: -104.234
Base-Backbone interact. energy: -0.028
local terms energy: -112.600363
where:
bonds (distance) C4'-P energy: -22.089
bonds (distance) P-C4' energy: -19.154
flat angles C4'-P-C4' energy: -21.286
flat angles P-C4'-P energy: -18.137
tors. eta vs tors. theta energy: -31.935
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: 3, replica: 4
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -330.344345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.344345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.344345 (E_RNA)
where:
Base-Base interactions energy: -226.767
where: short stacking energy: -97.289
Base-Backbone interact. energy: -0.147
local terms energy: -103.430034
where:
bonds (distance) C4'-P energy: -16.451
bonds (distance) P-C4' energy: -19.626
flat angles C4'-P-C4' energy: -23.155
flat angles P-C4'-P energy: -17.180
tors. eta vs tors. theta energy: -27.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -283.589921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.589921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.589921 (E_RNA)
where:
Base-Base interactions energy: -176.102
where: short stacking energy: -87.118
Base-Backbone interact. energy: -0.493
local terms energy: -106.994889
where:
bonds (distance) C4'-P energy: -22.740
bonds (distance) P-C4' energy: -22.221
flat angles C4'-P-C4' energy: -19.112
flat angles P-C4'-P energy: -17.124
tors. eta vs tors. theta energy: -25.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -272.307989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.307989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.307989 (E_RNA)
where:
Base-Base interactions energy: -178.360
where: short stacking energy: -97.639
Base-Backbone interact. energy: -0.008
local terms energy: -93.940300
where:
bonds (distance) C4'-P energy: -16.693
bonds (distance) P-C4' energy: -20.671
flat angles C4'-P-C4' energy: -17.908
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -29.271
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: 7
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -290.370401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.370401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.370401 (E_RNA)
where:
Base-Base interactions energy: -203.122
where: short stacking energy: -87.455
Base-Backbone interact. energy: 0.050
local terms energy: -87.298802
where:
bonds (distance) C4'-P energy: -23.929
bonds (distance) P-C4' energy: -18.753
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -18.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -265.422589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.422589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.422589 (E_RNA)
where:
Base-Base interactions energy: -172.228
where: short stacking energy: -80.915
Base-Backbone interact. energy: -0.253
local terms energy: -92.941027
where:
bonds (distance) C4'-P energy: -18.146
bonds (distance) P-C4' energy: -23.175
flat angles C4'-P-C4' energy: -18.710
flat angles P-C4'-P energy: -15.338
tors. eta vs tors. theta energy: -17.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -247.234667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.234667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.234667 (E_RNA)
where:
Base-Base interactions energy: -155.084
where: short stacking energy: -68.600
Base-Backbone interact. energy: 1.536
local terms energy: -93.686551
where:
bonds (distance) C4'-P energy: -21.138
bonds (distance) P-C4' energy: -22.609
flat angles C4'-P-C4' energy: -16.524
flat angles P-C4'-P energy: -15.755
tors. eta vs tors. theta energy: -17.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -222.714621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.714621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.714621 (E_RNA)
where:
Base-Base interactions energy: -140.741
where: short stacking energy: -62.044
Base-Backbone interact. energy: -0.921
local terms energy: -81.051975
where:
bonds (distance) C4'-P energy: -23.125
bonds (distance) P-C4' energy: -18.918
flat angles C4'-P-C4' energy: -19.565
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: -9.620
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: 2
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -115.185488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.185488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.185488 (E_RNA)
where:
Base-Base interactions energy: -44.481
where: short stacking energy: -43.552
Base-Backbone interact. energy: -0.258
local terms energy: -70.446656
where:
bonds (distance) C4'-P energy: -20.081
bonds (distance) P-C4' energy: -22.461
flat angles C4'-P-C4' energy: -14.934
flat angles P-C4'-P energy: -4.579
tors. eta vs tors. theta energy: -8.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -372.567116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.567116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.567116 (E_RNA)
where:
Base-Base interactions energy: -252.541
where: short stacking energy: -109.771
Base-Backbone interact. energy: -0.261
local terms energy: -119.765230
where:
bonds (distance) C4'-P energy: -21.612
bonds (distance) P-C4' energy: -23.659
flat angles C4'-P-C4' energy: -22.719
flat angles P-C4'-P energy: -20.538
tors. eta vs tors. theta energy: -31.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -298.197105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.197105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.197105 (E_RNA)
where:
Base-Base interactions energy: -186.523
where: short stacking energy: -87.983
Base-Backbone interact. energy: -0.128
local terms energy: -111.546773
where:
bonds (distance) C4'-P energy: -19.426
bonds (distance) P-C4' energy: -25.574
flat angles C4'-P-C4' energy: -24.963
flat angles P-C4'-P energy: -17.294
tors. eta vs tors. theta energy: -24.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -299.658635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.658635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.658635 (E_RNA)
where:
Base-Base interactions energy: -193.885
where: short stacking energy: -76.157
Base-Backbone interact. energy: -0.236
local terms energy: -105.537865
where:
bonds (distance) C4'-P energy: -22.156
bonds (distance) P-C4' energy: -21.003
flat angles C4'-P-C4' energy: -20.749
flat angles P-C4'-P energy: -17.839
tors. eta vs tors. theta energy: -23.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -317.820113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.820113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.820113 (E_RNA)
where:
Base-Base interactions energy: -211.533
where: short stacking energy: -100.084
Base-Backbone interact. energy: 0.591
local terms energy: -106.878093
where:
bonds (distance) C4'-P energy: -20.504
bonds (distance) P-C4' energy: -25.123
flat angles C4'-P-C4' energy: -21.155
flat angles P-C4'-P energy: -18.990
tors. eta vs tors. theta energy: -21.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -269.550363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.550363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.550363 (E_RNA)
where:
Base-Base interactions energy: -172.677
where: short stacking energy: -77.015
Base-Backbone interact. energy: -0.372
local terms energy: -96.501402
where:
bonds (distance) C4'-P energy: -16.870
bonds (distance) P-C4' energy: -25.501
flat angles C4'-P-C4' energy: -22.314
flat angles P-C4'-P energy: -13.483
tors. eta vs tors. theta energy: -18.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -274.196341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.196341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.196341 (E_RNA)
where:
Base-Base interactions energy: -173.685
where: short stacking energy: -81.215
Base-Backbone interact. energy: -0.279
local terms energy: -100.232557
where:
bonds (distance) C4'-P energy: -22.367
bonds (distance) P-C4' energy: -21.537
flat angles C4'-P-C4' energy: -22.489
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -22.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -270.684383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.684383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.684383 (E_RNA)
where:
Base-Base interactions energy: -168.017
where: short stacking energy: -77.580
Base-Backbone interact. energy: -0.332
local terms energy: -102.335826
where:
bonds (distance) C4'-P energy: -21.549
bonds (distance) P-C4' energy: -20.476
flat angles C4'-P-C4' energy: -22.592
flat angles P-C4'-P energy: -16.086
tors. eta vs tors. theta energy: -21.633
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: 1
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -240.685879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.685879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.685879 (E_RNA)
where:
Base-Base interactions energy: -156.204
where: short stacking energy: -77.741
Base-Backbone interact. energy: -0.135
local terms energy: -84.347026
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -22.803
flat angles C4'-P-C4' energy: -18.216
flat angles P-C4'-P energy: -16.805
tors. eta vs tors. theta energy: -14.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -210.351632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.351632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.351632 (E_RNA)
where:
Base-Base interactions energy: -132.205
where: short stacking energy: -60.678
Base-Backbone interact. energy: -0.465
local terms energy: -77.681392
where:
bonds (distance) C4'-P energy: -16.008
bonds (distance) P-C4' energy: -20.271
flat angles C4'-P-C4' energy: -18.377
flat angles P-C4'-P energy: -15.248
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: 10, replica: 2
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -102.340406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.340406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.340406 (E_RNA)
where:
Base-Base interactions energy: -37.606
where: short stacking energy: -36.389
Base-Backbone interact. energy: -0.284
local terms energy: -64.450438
where:
bonds (distance) C4'-P energy: -15.239
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -19.136
flat angles P-C4'-P energy: -12.280
tors. eta vs tors. theta energy: -0.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -374.631470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.631470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.631470 (E_RNA)
where:
Base-Base interactions energy: -246.973
where: short stacking energy: -108.536
Base-Backbone interact. energy: -0.054
local terms energy: -127.603986
where:
bonds (distance) C4'-P energy: -24.425
bonds (distance) P-C4' energy: -25.172
flat angles C4'-P-C4' energy: -25.741
flat angles P-C4'-P energy: -17.340
tors. eta vs tors. theta energy: -34.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -301.417254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.417254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.417254 (E_RNA)
where:
Base-Base interactions energy: -193.336
where: short stacking energy: -97.864
Base-Backbone interact. energy: 0.051
local terms energy: -108.131546
where:
bonds (distance) C4'-P energy: -21.701
bonds (distance) P-C4' energy: -23.184
flat angles C4'-P-C4' energy: -22.552
flat angles P-C4'-P energy: -17.882
tors. eta vs tors. theta energy: -22.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -297.891854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.891854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.891854 (E_RNA)
where:
Base-Base interactions energy: -192.853
where: short stacking energy: -92.241
Base-Backbone interact. energy: -0.069
local terms energy: -104.970110
where:
bonds (distance) C4'-P energy: -18.992
bonds (distance) P-C4' energy: -24.572
flat angles C4'-P-C4' energy: -21.784
flat angles P-C4'-P energy: -12.553
tors. eta vs tors. theta energy: -27.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -313.909319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.909319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.909319 (E_RNA)
where:
Base-Base interactions energy: -208.893
where: short stacking energy: -95.194
Base-Backbone interact. energy: -0.945
local terms energy: -104.071583
where:
bonds (distance) C4'-P energy: -21.021
bonds (distance) P-C4' energy: -24.770
flat angles C4'-P-C4' energy: -21.551
flat angles P-C4'-P energy: -13.278
tors. eta vs tors. theta energy: -23.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -280.988663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.988663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.988663 (E_RNA)
where:
Base-Base interactions energy: -183.177
where: short stacking energy: -82.068
Base-Backbone interact. energy: -0.933
local terms energy: -96.878411
where:
bonds (distance) C4'-P energy: -19.007
bonds (distance) P-C4' energy: -18.073
flat angles C4'-P-C4' energy: -22.003
flat angles P-C4'-P energy: -15.444
tors. eta vs tors. theta energy: -22.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -249.268137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.268137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.268137 (E_RNA)
where:
Base-Base interactions energy: -176.296
where: short stacking energy: -72.194
Base-Backbone interact. energy: -0.349
local terms energy: -72.623098
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -20.767
flat angles C4'-P-C4' energy: -16.357
flat angles P-C4'-P energy: -12.265
tors. eta vs tors. theta energy: -9.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -258.128681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.128681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.128681 (E_RNA)
where:
Base-Base interactions energy: -174.854
where: short stacking energy: -64.642
Base-Backbone interact. energy: -0.402
local terms energy: -82.872632
where:
bonds (distance) C4'-P energy: -18.726
bonds (distance) P-C4' energy: -23.209
flat angles C4'-P-C4' energy: -21.227
flat angles P-C4'-P energy: -12.718
tors. eta vs tors. theta energy: -6.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -227.085474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.085474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.085474 (E_RNA)
where:
Base-Base interactions energy: -146.389
where: short stacking energy: -66.598
Base-Backbone interact. energy: -0.337
local terms energy: -80.358956
where:
bonds (distance) C4'-P energy: -18.488
bonds (distance) P-C4' energy: -21.716
flat angles C4'-P-C4' energy: -19.054
flat angles P-C4'-P energy: -9.868
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: 9, replica: 1
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -235.164969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.164969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.164969 (E_RNA)
where:
Base-Base interactions energy: -146.933
where: short stacking energy: -59.463
Base-Backbone interact. energy: -0.391
local terms energy: -87.841001
where:
bonds (distance) C4'-P energy: -21.400
bonds (distance) P-C4' energy: -19.505
flat angles C4'-P-C4' energy: -18.399
flat angles P-C4'-P energy: -16.828
tors. eta vs tors. theta energy: -11.709
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: 2
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -110.179489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.179489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.179489 (E_RNA)
where:
Base-Base interactions energy: -51.679
where: short stacking energy: -38.048
Base-Backbone interact. energy: 0.411
local terms energy: -58.911782
where:
bonds (distance) C4'-P energy: -11.575
bonds (distance) P-C4' energy: -16.634
flat angles C4'-P-C4' energy: -17.979
flat angles P-C4'-P energy: -13.300
tors. eta vs tors. theta energy: 0.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -367.348777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.348777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.348777 (E_RNA)
where:
Base-Base interactions energy: -250.008
where: short stacking energy: -108.526
Base-Backbone interact. energy: -0.084
local terms energy: -117.257465
where:
bonds (distance) C4'-P energy: -21.580
bonds (distance) P-C4' energy: -22.442
flat angles C4'-P-C4' energy: -26.785
flat angles P-C4'-P energy: -16.562
tors. eta vs tors. theta energy: -29.889
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: 2, replica: 9
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -295.607043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.607043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.607043 (E_RNA)
where:
Base-Base interactions energy: -191.959
where: short stacking energy: -87.976
Base-Backbone interact. energy: -0.211
local terms energy: -103.436509
where:
bonds (distance) C4'-P energy: -23.726
bonds (distance) P-C4' energy: -22.232
flat angles C4'-P-C4' energy: -19.701
flat angles P-C4'-P energy: -17.790
tors. eta vs tors. theta energy: -19.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -321.547154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.547154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.547154 (E_RNA)
where:
Base-Base interactions energy: -224.782
where: short stacking energy: -85.173
Base-Backbone interact. energy: -1.703
local terms energy: -95.062115
where:
bonds (distance) C4'-P energy: -23.970
bonds (distance) P-C4' energy: -22.641
flat angles C4'-P-C4' energy: -18.013
flat angles P-C4'-P energy: -11.254
tors. eta vs tors. theta energy: -19.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -293.298125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.298125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.298125 (E_RNA)
where:
Base-Base interactions energy: -193.507
where: short stacking energy: -81.362
Base-Backbone interact. energy: -0.309
local terms energy: -99.481998
where:
bonds (distance) C4'-P energy: -17.006
bonds (distance) P-C4' energy: -23.693
flat angles C4'-P-C4' energy: -22.762
flat angles P-C4'-P energy: -16.483
tors. eta vs tors. theta energy: -19.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -264.241325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.241325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.241325 (E_RNA)
where:
Base-Base interactions energy: -180.607
where: short stacking energy: -75.338
Base-Backbone interact. energy: -0.163
local terms energy: -83.471817
where:
bonds (distance) C4'-P energy: -16.004
bonds (distance) P-C4' energy: -17.167
flat angles C4'-P-C4' energy: -18.381
flat angles P-C4'-P energy: -17.830
tors. eta vs tors. theta energy: -14.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -269.088012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.088012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.088012 (E_RNA)
where:
Base-Base interactions energy: -179.517
where: short stacking energy: -77.830
Base-Backbone interact. energy: 0.051
local terms energy: -89.621659
where:
bonds (distance) C4'-P energy: -17.855
bonds (distance) P-C4' energy: -23.134
flat angles C4'-P-C4' energy: -18.362
flat angles P-C4'-P energy: -12.120
tors. eta vs tors. theta energy: -18.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -258.601328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.601328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.601328 (E_RNA)
where:
Base-Base interactions energy: -165.219
where: short stacking energy: -64.907
Base-Backbone interact. energy: 0.549
local terms energy: -93.931347
where:
bonds (distance) C4'-P energy: -25.874
bonds (distance) P-C4' energy: -20.471
flat angles C4'-P-C4' energy: -26.905
flat angles P-C4'-P energy: -10.598
tors. eta vs tors. theta energy: -10.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -248.927782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.927782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.927782 (E_RNA)
where:
Base-Base interactions energy: -172.878
where: short stacking energy: -76.051
Base-Backbone interact. energy: -1.233
local terms energy: -74.816626
where:
bonds (distance) C4'-P energy: -13.293
bonds (distance) P-C4' energy: -20.023
flat angles C4'-P-C4' energy: -18.680
flat angles P-C4'-P energy: -2.506
tors. eta vs tors. theta energy: -20.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -221.457499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.457499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.457499 (E_RNA)
where:
Base-Base interactions energy: -128.255
where: short stacking energy: -52.951
Base-Backbone interact. energy: -0.128
local terms energy: -93.074578
where:
bonds (distance) C4'-P energy: -22.607
bonds (distance) P-C4' energy: -20.353
flat angles C4'-P-C4' energy: -21.930
flat angles P-C4'-P energy: -18.310
tors. eta vs tors. theta energy: -9.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -104.872902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.872902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.872902 (E_RNA)
where:
Base-Base interactions energy: -42.757
where: short stacking energy: -19.373
Base-Backbone interact. energy: 0.067
local terms energy: -62.182350
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -21.017
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -1.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -366.990546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.990546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.990546 (E_RNA)
where:
Base-Base interactions energy: -243.584
where: short stacking energy: -109.667
Base-Backbone interact. energy: -0.003
local terms energy: -123.403328
where:
bonds (distance) C4'-P energy: -22.802
bonds (distance) P-C4' energy: -23.693
flat angles C4'-P-C4' energy: -27.393
flat angles P-C4'-P energy: -16.451
tors. eta vs tors. theta energy: -33.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -308.290781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.290781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.290781 (E_RNA)
where:
Base-Base interactions energy: -213.634
where: short stacking energy: -78.202
Base-Backbone interact. energy: -1.183
local terms energy: -93.473891
where:
bonds (distance) C4'-P energy: -19.433
bonds (distance) P-C4' energy: -20.241
flat angles C4'-P-C4' energy: -18.217
flat angles P-C4'-P energy: -15.649
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: 9
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -290.015127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.015127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.015127 (E_RNA)
where:
Base-Base interactions energy: -181.344
where: short stacking energy: -85.094
Base-Backbone interact. energy: -0.641
local terms energy: -108.030178
where:
bonds (distance) C4'-P energy: -24.360
bonds (distance) P-C4' energy: -24.658
flat angles C4'-P-C4' energy: -24.317
flat angles P-C4'-P energy: -12.545
tors. eta vs tors. theta energy: -22.151
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: 7
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -299.425996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.425996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.425996 (E_RNA)
where:
Base-Base interactions energy: -199.626
where: short stacking energy: -96.118
Base-Backbone interact. energy: -0.007
local terms energy: -99.793298
where:
bonds (distance) C4'-P energy: -16.663
bonds (distance) P-C4' energy: -21.035
flat angles C4'-P-C4' energy: -21.363
flat angles P-C4'-P energy: -14.956
tors. eta vs tors. theta energy: -25.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -285.976387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.976387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.976387 (E_RNA)
where:
Base-Base interactions energy: -186.517
where: short stacking energy: -74.818
Base-Backbone interact. energy: -0.205
local terms energy: -99.253912
where:
bonds (distance) C4'-P energy: -21.822
bonds (distance) P-C4' energy: -24.080
flat angles C4'-P-C4' energy: -19.924
flat angles P-C4'-P energy: -14.064
tors. eta vs tors. theta energy: -19.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -272.402526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.402526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.402526 (E_RNA)
where:
Base-Base interactions energy: -173.860
where: short stacking energy: -80.104
Base-Backbone interact. energy: 0.002
local terms energy: -98.544709
where:
bonds (distance) C4'-P energy: -21.046
bonds (distance) P-C4' energy: -23.384
flat angles C4'-P-C4' energy: -25.647
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: -18.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -259.693371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.693371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.693371 (E_RNA)
where:
Base-Base interactions energy: -169.398
where: short stacking energy: -81.285
Base-Backbone interact. energy: -0.176
local terms energy: -90.119376
where:
bonds (distance) C4'-P energy: -13.579
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -22.362
flat angles P-C4'-P energy: -13.784
tors. eta vs tors. theta energy: -24.394
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: 10
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -251.743971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.743971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.743971 (E_RNA)
where:
Base-Base interactions energy: -161.540
where: short stacking energy: -81.493
Base-Backbone interact. energy: -0.099
local terms energy: -90.104159
where:
bonds (distance) C4'-P energy: -15.999
bonds (distance) P-C4' energy: -20.246
flat angles C4'-P-C4' energy: -18.937
flat angles P-C4'-P energy: -14.995
tors. eta vs tors. theta energy: -19.927
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: 1
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -235.058605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.058605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.058605 (E_RNA)
where:
Base-Base interactions energy: -164.245
where: short stacking energy: -68.257
Base-Backbone interact. energy: 1.698
local terms energy: -72.511390
where:
bonds (distance) C4'-P energy: -19.071
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -7.162
tors. eta vs tors. theta energy: -14.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -100.966811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.966811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.966811 (E_RNA)
where:
Base-Base interactions energy: -31.564
where: short stacking energy: -31.564
Base-Backbone interact. energy: -0.728
local terms energy: -68.674632
where:
bonds (distance) C4'-P energy: -23.502
bonds (distance) P-C4' energy: -19.079
flat angles C4'-P-C4' energy: -18.828
flat angles P-C4'-P energy: -12.146
tors. eta vs tors. theta energy: 4.881
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: 5
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -367.105021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.105021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.105021 (E_RNA)
where:
Base-Base interactions energy: -251.787
where: short stacking energy: -113.018
Base-Backbone interact. energy: -0.126
local terms energy: -115.191926
where:
bonds (distance) C4'-P energy: -20.139
bonds (distance) P-C4' energy: -23.919
flat angles C4'-P-C4' energy: -24.645
flat angles P-C4'-P energy: -14.976
tors. eta vs tors. theta energy: -31.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -338.247958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.247958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.247958 (E_RNA)
where:
Base-Base interactions energy: -237.486
where: short stacking energy: -106.127
Base-Backbone interact. energy: -0.488
local terms energy: -100.274662
where:
bonds (distance) C4'-P energy: -18.708
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -23.768
flat angles P-C4'-P energy: -11.270
tors. eta vs tors. theta energy: -28.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -320.968317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.968317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.968317 (E_RNA)
where:
Base-Base interactions energy: -220.921
where: short stacking energy: -93.058
Base-Backbone interact. energy: -0.133
local terms energy: -99.913977
where:
bonds (distance) C4'-P energy: -23.310
bonds (distance) P-C4' energy: -18.530
flat angles C4'-P-C4' energy: -20.094
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: -25.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -293.152310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.152310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.152310 (E_RNA)
where:
Base-Base interactions energy: -197.941
where: short stacking energy: -87.196
Base-Backbone interact. energy: -0.559
local terms energy: -94.651618
where:
bonds (distance) C4'-P energy: -14.742
bonds (distance) P-C4' energy: -19.384
flat angles C4'-P-C4' energy: -25.429
flat angles P-C4'-P energy: -10.978
tors. eta vs tors. theta energy: -24.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -274.956436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.956436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.956436 (E_RNA)
where:
Base-Base interactions energy: -173.049
where: short stacking energy: -85.180
Base-Backbone interact. energy: 0.197
local terms energy: -102.104165
where:
bonds (distance) C4'-P energy: -15.976
bonds (distance) P-C4' energy: -21.996
flat angles C4'-P-C4' energy: -23.668
flat angles P-C4'-P energy: -13.776
tors. eta vs tors. theta energy: -26.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -269.216747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.216747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.216747 (E_RNA)
where:
Base-Base interactions energy: -177.860
where: short stacking energy: -87.271
Base-Backbone interact. energy: -0.112
local terms energy: -91.244846
where:
bonds (distance) C4'-P energy: -18.624
bonds (distance) P-C4' energy: -16.506
flat angles C4'-P-C4' energy: -20.469
flat angles P-C4'-P energy: -12.352
tors. eta vs tors. theta energy: -23.294
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: 7, replica: 10
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -267.928961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.928961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.928961 (E_RNA)
where:
Base-Base interactions energy: -163.904
where: short stacking energy: -76.654
Base-Backbone interact. energy: -0.208
local terms energy: -103.816452
where:
bonds (distance) C4'-P energy: -19.987
bonds (distance) P-C4' energy: -23.104
flat angles C4'-P-C4' energy: -21.820
flat angles P-C4'-P energy: -15.048
tors. eta vs tors. theta energy: -23.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -238.544125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.544125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.544125 (E_RNA)
where:
Base-Base interactions energy: -154.826
where: short stacking energy: -72.297
Base-Backbone interact. energy: -0.078
local terms energy: -83.640304
where:
bonds (distance) C4'-P energy: -21.300
bonds (distance) P-C4' energy: -24.631
flat angles C4'-P-C4' energy: -12.577
flat angles P-C4'-P energy: -7.736
tors. eta vs tors. theta energy: -17.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -121.024654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.024654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.024654 (E_RNA)
where:
Base-Base interactions energy: -50.729
where: short stacking energy: -37.684
Base-Backbone interact. energy: 1.235
local terms energy: -71.530671
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -23.697
flat angles C4'-P-C4' energy: -20.365
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -1.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -200.267517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.267517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.267517 (E_RNA)
where:
Base-Base interactions energy: -111.728
where: short stacking energy: -61.706
Base-Backbone interact. energy: -0.642
local terms energy: -87.898273
where:
bonds (distance) C4'-P energy: -18.600
bonds (distance) P-C4' energy: -22.787
flat angles C4'-P-C4' energy: -21.437
flat angles P-C4'-P energy: -11.384
tors. eta vs tors. theta energy: -13.691
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: 1, replica: 5
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -366.602681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.602681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.602681 (E_RNA)
where:
Base-Base interactions energy: -249.241
where: short stacking energy: -115.588
Base-Backbone interact. energy: -0.415
local terms energy: -116.945913
where:
bonds (distance) C4'-P energy: -19.002
bonds (distance) P-C4' energy: -22.269
flat angles C4'-P-C4' energy: -23.408
flat angles P-C4'-P energy: -16.468
tors. eta vs tors. theta energy: -35.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -328.757807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.757807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.757807 (E_RNA)
where:
Base-Base interactions energy: -218.990
where: short stacking energy: -94.249
Base-Backbone interact. energy: -0.223
local terms energy: -109.544702
where:
bonds (distance) C4'-P energy: -24.419
bonds (distance) P-C4' energy: -19.972
flat angles C4'-P-C4' energy: -23.229
flat angles P-C4'-P energy: -16.167
tors. eta vs tors. theta energy: -25.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -329.725430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.725430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.725430 (E_RNA)
where:
Base-Base interactions energy: -209.463
where: short stacking energy: -98.929
Base-Backbone interact. energy: -0.713
local terms energy: -119.548863
where:
bonds (distance) C4'-P energy: -25.464
bonds (distance) P-C4' energy: -23.665
flat angles C4'-P-C4' energy: -25.576
flat angles P-C4'-P energy: -17.574
tors. eta vs tors. theta energy: -27.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -300.066356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.066356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.066356 (E_RNA)
where:
Base-Base interactions energy: -196.376
where: short stacking energy: -91.329
Base-Backbone interact. energy: -0.520
local terms energy: -103.170547
where:
bonds (distance) C4'-P energy: -21.071
bonds (distance) P-C4' energy: -19.406
flat angles C4'-P-C4' energy: -23.170
flat angles P-C4'-P energy: -16.220
tors. eta vs tors. theta energy: -23.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -268.112076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.112076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.112076 (E_RNA)
where:
Base-Base interactions energy: -170.110
where: short stacking energy: -80.997
Base-Backbone interact. energy: -0.030
local terms energy: -97.972794
where:
bonds (distance) C4'-P energy: -21.833
bonds (distance) P-C4' energy: -20.595
flat angles C4'-P-C4' energy: -21.406
flat angles P-C4'-P energy: -16.847
tors. eta vs tors. theta energy: -17.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -279.559880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.559880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.559880 (E_RNA)
where:
Base-Base interactions energy: -177.062
where: short stacking energy: -90.074
Base-Backbone interact. energy: -0.718
local terms energy: -101.780502
where:
bonds (distance) C4'-P energy: -16.431
bonds (distance) P-C4' energy: -20.178
flat angles C4'-P-C4' energy: -25.191
flat angles P-C4'-P energy: -17.647
tors. eta vs tors. theta energy: -22.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -256.185546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.185546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.185546 (E_RNA)
where:
Base-Base interactions energy: -168.001
where: short stacking energy: -79.382
Base-Backbone interact. energy: -0.231
local terms energy: -87.953859
where:
bonds (distance) C4'-P energy: -21.113
bonds (distance) P-C4' energy: -19.660
flat angles C4'-P-C4' energy: -20.707
flat angles P-C4'-P energy: -12.146
tors. eta vs tors. theta energy: -14.327
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: 8
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -216.089863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.089863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.089863 (E_RNA)
where:
Base-Base interactions energy: -129.274
where: short stacking energy: -71.826
Base-Backbone interact. energy: -0.100
local terms energy: -86.715242
where:
bonds (distance) C4'-P energy: -15.173
bonds (distance) P-C4' energy: -18.480
flat angles C4'-P-C4' energy: -21.224
flat angles P-C4'-P energy: -8.912
tors. eta vs tors. theta energy: -22.925
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: 2
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -130.764838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.764838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.764838 (E_RNA)
where:
Base-Base interactions energy: -62.009
where: short stacking energy: -54.343
Base-Backbone interact. energy: -0.200
local terms energy: -68.555894
where:
bonds (distance) C4'-P energy: -18.470
bonds (distance) P-C4' energy: -11.950
flat angles C4'-P-C4' energy: -18.476
flat angles P-C4'-P energy: -11.915
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: 10, replica: 1
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -192.526151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.526151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.526151 (E_RNA)
where:
Base-Base interactions energy: -114.839
where: short stacking energy: -56.546
Base-Backbone interact. energy: 0.321
local terms energy: -78.008858
where:
bonds (distance) C4'-P energy: -19.489
bonds (distance) P-C4' energy: -19.766
flat angles C4'-P-C4' energy: -15.779
flat angles P-C4'-P energy: -16.388
tors. eta vs tors. theta energy: -6.586
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: 5
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -369.802327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.802327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.802327 (E_RNA)
where:
Base-Base interactions energy: -254.340
where: short stacking energy: -111.154
Base-Backbone interact. energy: -0.552
local terms energy: -114.910429
where:
bonds (distance) C4'-P energy: -23.968
bonds (distance) P-C4' energy: -22.899
flat angles C4'-P-C4' energy: -21.921
flat angles P-C4'-P energy: -14.515
tors. eta vs tors. theta energy: -31.607
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: 4
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -360.392774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.392774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.392774 (E_RNA)
where:
Base-Base interactions energy: -249.389
where: short stacking energy: -102.318
Base-Backbone interact. energy: -0.582
local terms energy: -110.421665
where:
bonds (distance) C4'-P energy: -22.902
bonds (distance) P-C4' energy: -12.772
flat angles C4'-P-C4' energy: -26.117
flat angles P-C4'-P energy: -14.993
tors. eta vs tors. theta energy: -33.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -330.095712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.095712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.095712 (E_RNA)
where:
Base-Base interactions energy: -218.240
where: short stacking energy: -96.442
Base-Backbone interact. energy: -0.399
local terms energy: -111.456726
where:
bonds (distance) C4'-P energy: -22.950
bonds (distance) P-C4' energy: -23.532
flat angles C4'-P-C4' energy: -23.951
flat angles P-C4'-P energy: -18.541
tors. eta vs tors. theta energy: -22.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -294.711827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.711827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.711827 (E_RNA)
where:
Base-Base interactions energy: -198.901
where: short stacking energy: -79.269
Base-Backbone interact. energy: -0.451
local terms energy: -95.359602
where:
bonds (distance) C4'-P energy: -21.406
bonds (distance) P-C4' energy: -19.131
flat angles C4'-P-C4' energy: -16.173
flat angles P-C4'-P energy: -16.294
tors. eta vs tors. theta energy: -22.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -279.941716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.941716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.941716 (E_RNA)
where:
Base-Base interactions energy: -179.433
where: short stacking energy: -86.443
Base-Backbone interact. energy: -0.279
local terms energy: -100.229524
where:
bonds (distance) C4'-P energy: -18.016
bonds (distance) P-C4' energy: -20.807
flat angles C4'-P-C4' energy: -24.977
flat angles P-C4'-P energy: -13.473
tors. eta vs tors. theta energy: -22.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -280.772357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.772357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.772357 (E_RNA)
where:
Base-Base interactions energy: -177.405
where: short stacking energy: -80.630
Base-Backbone interact. energy: -0.662
local terms energy: -102.705214
where:
bonds (distance) C4'-P energy: -21.585
bonds (distance) P-C4' energy: -23.802
flat angles C4'-P-C4' energy: -24.577
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -21.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -215.937499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.937499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.937499 (E_RNA)
where:
Base-Base interactions energy: -139.227
where: short stacking energy: -67.045
Base-Backbone interact. energy: 0.060
local terms energy: -76.770642
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -20.066
flat angles C4'-P-C4' energy: -16.960
flat angles P-C4'-P energy: -14.164
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: 8, replica: 10
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -227.727330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.727330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.727330 (E_RNA)
where:
Base-Base interactions energy: -142.850
where: short stacking energy: -59.886
Base-Backbone interact. energy: -0.195
local terms energy: -84.681973
where:
bonds (distance) C4'-P energy: -21.849
bonds (distance) P-C4' energy: -18.731
flat angles C4'-P-C4' energy: -21.929
flat angles P-C4'-P energy: -12.550
tors. eta vs tors. theta energy: -9.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -229.274335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.274335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.274335 (E_RNA)
where:
Base-Base interactions energy: -153.819
where: short stacking energy: -68.911
Base-Backbone interact. energy: 0.781
local terms energy: -76.236727
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -15.644
flat angles C4'-P-C4' energy: -17.193
flat angles P-C4'-P energy: -11.284
tors. eta vs tors. theta energy: -17.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -116.390374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.390374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.390374 (E_RNA)
where:
Base-Base interactions energy: -51.556
where: short stacking energy: -26.642
Base-Backbone interact. energy: 0.173
local terms energy: -65.006689
where:
bonds (distance) C4'-P energy: -16.869
bonds (distance) P-C4' energy: -19.683
flat angles C4'-P-C4' energy: -24.002
flat angles P-C4'-P energy: -9.087
tors. eta vs tors. theta energy: 4.634
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: 1, replica: 5
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -369.313596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.313596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.313596 (E_RNA)
where:
Base-Base interactions energy: -248.971
where: short stacking energy: -109.456
Base-Backbone interact. energy: -0.049
local terms energy: -120.294201
where:
bonds (distance) C4'-P energy: -17.934
bonds (distance) P-C4' energy: -24.834
flat angles C4'-P-C4' energy: -24.816
flat angles P-C4'-P energy: -18.515
tors. eta vs tors. theta energy: -34.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -312.831702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.831702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.831702 (E_RNA)
where:
Base-Base interactions energy: -211.372
where: short stacking energy: -84.658
Base-Backbone interact. energy: 0.263
local terms energy: -101.722689
where:
bonds (distance) C4'-P energy: -22.806
bonds (distance) P-C4' energy: -22.020
flat angles C4'-P-C4' energy: -20.301
flat angles P-C4'-P energy: -15.454
tors. eta vs tors. theta energy: -21.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -336.598283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.598283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.598283 (E_RNA)
where:
Base-Base interactions energy: -233.128
where: short stacking energy: -89.623
Base-Backbone interact. energy: -0.481
local terms energy: -102.989673
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -23.873
flat angles C4'-P-C4' energy: -21.218
flat angles P-C4'-P energy: -17.369
tors. eta vs tors. theta energy: -24.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -277.057967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.057967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.057967 (E_RNA)
where:
Base-Base interactions energy: -178.406
where: short stacking energy: -76.677
Base-Backbone interact. energy: 1.389
local terms energy: -100.041282
where:
bonds (distance) C4'-P energy: -18.608
bonds (distance) P-C4' energy: -20.835
flat angles C4'-P-C4' energy: -22.468
flat angles P-C4'-P energy: -19.235
tors. eta vs tors. theta energy: -18.895
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: 9
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -292.235507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.235507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.235507 (E_RNA)
where:
Base-Base interactions energy: -193.436
where: short stacking energy: -78.506
Base-Backbone interact. energy: 0.183
local terms energy: -98.982214
where:
bonds (distance) C4'-P energy: -21.198
bonds (distance) P-C4' energy: -21.399
flat angles C4'-P-C4' energy: -23.604
flat angles P-C4'-P energy: -18.362
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: 6, replica: 6
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -281.322114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.322114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.322114 (E_RNA)
where:
Base-Base interactions energy: -181.785
where: short stacking energy: -93.388
Base-Backbone interact. energy: -0.036
local terms energy: -99.501189
where:
bonds (distance) C4'-P energy: -21.102
bonds (distance) P-C4' energy: -22.597
flat angles C4'-P-C4' energy: -19.438
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: -25.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -226.018377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.018377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.018377 (E_RNA)
where:
Base-Base interactions energy: -134.363
where: short stacking energy: -60.581
Base-Backbone interact. energy: 0.228
local terms energy: -91.883726
where:
bonds (distance) C4'-P energy: -18.885
bonds (distance) P-C4' energy: -20.700
flat angles C4'-P-C4' energy: -19.948
flat angles P-C4'-P energy: -14.870
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: 8, replica: 1
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -251.481364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.481364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.481364 (E_RNA)
where:
Base-Base interactions energy: -163.247
where: short stacking energy: -66.850
Base-Backbone interact. energy: -0.390
local terms energy: -87.844445
where:
bonds (distance) C4'-P energy: -18.517
bonds (distance) P-C4' energy: -19.531
flat angles C4'-P-C4' energy: -21.640
flat angles P-C4'-P energy: -12.735
tors. eta vs tors. theta energy: -15.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -230.352126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.352126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.352126 (E_RNA)
where:
Base-Base interactions energy: -144.258
where: short stacking energy: -66.682
Base-Backbone interact. energy: -0.232
local terms energy: -85.862543
where:
bonds (distance) C4'-P energy: -17.068
bonds (distance) P-C4' energy: -24.146
flat angles C4'-P-C4' energy: -18.022
flat angles P-C4'-P energy: -12.471
tors. eta vs tors. theta energy: -14.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -117.710714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.710714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.710714 (E_RNA)
where:
Base-Base interactions energy: -37.671
where: short stacking energy: -35.992
Base-Backbone interact. energy: -0.120
local terms energy: -79.919033
where:
bonds (distance) C4'-P energy: -18.056
bonds (distance) P-C4' energy: -24.483
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -16.659
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: 1, replica: 7
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -319.179944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.179944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.179944 (E_RNA)
where:
Base-Base interactions energy: -217.956
where: short stacking energy: -95.292
Base-Backbone interact. energy: -0.247
local terms energy: -100.977632
where:
bonds (distance) C4'-P energy: -23.970
bonds (distance) P-C4' energy: -20.918
flat angles C4'-P-C4' energy: -22.862
flat angles P-C4'-P energy: -13.558
tors. eta vs tors. theta energy: -19.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -354.727604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.727604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.727604 (E_RNA)
where:
Base-Base interactions energy: -245.738
where: short stacking energy: -104.781
Base-Backbone interact. energy: -0.008
local terms energy: -108.981837
where:
bonds (distance) C4'-P energy: -21.610
bonds (distance) P-C4' energy: -19.798
flat angles C4'-P-C4' energy: -23.164
flat angles P-C4'-P energy: -15.826
tors. eta vs tors. theta energy: -28.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -355.955480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.955480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.955480 (E_RNA)
where:
Base-Base interactions energy: -239.045
where: short stacking energy: -94.280
Base-Backbone interact. energy: -0.670
local terms energy: -116.240037
where:
bonds (distance) C4'-P energy: -25.417
bonds (distance) P-C4' energy: -21.486
flat angles C4'-P-C4' energy: -23.610
flat angles P-C4'-P energy: -17.687
tors. eta vs tors. theta energy: -28.040
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: 458
Temperature: 1.050000
Total energy: -297.891980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.891980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.891980 (E_RNA)
where:
Base-Base interactions energy: -194.420
where: short stacking energy: -71.474
Base-Backbone interact. energy: -0.338
local terms energy: -103.134555
where:
bonds (distance) C4'-P energy: -20.947
bonds (distance) P-C4' energy: -23.286
flat angles C4'-P-C4' energy: -26.867
flat angles P-C4'-P energy: -16.694
tors. eta vs tors. theta energy: -15.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -293.878864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.878864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.878864 (E_RNA)
where:
Base-Base interactions energy: -198.239
where: short stacking energy: -85.059
Base-Backbone interact. energy: -0.335
local terms energy: -95.304484
where:
bonds (distance) C4'-P energy: -18.540
bonds (distance) P-C4' energy: -20.774
flat angles C4'-P-C4' energy: -20.504
flat angles P-C4'-P energy: -15.695
tors. eta vs tors. theta energy: -19.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -261.007759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.007759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.007759 (E_RNA)
where:
Base-Base interactions energy: -173.477
where: short stacking energy: -82.850
Base-Backbone interact. energy: -0.062
local terms energy: -87.468951
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -18.340
flat angles C4'-P-C4' energy: -20.339
flat angles P-C4'-P energy: -14.912
tors. eta vs tors. theta energy: -20.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -214.521746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.521746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.521746 (E_RNA)
where:
Base-Base interactions energy: -127.975
where: short stacking energy: -59.272
Base-Backbone interact. energy: -0.356
local terms energy: -86.190410
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -21.580
flat angles C4'-P-C4' energy: -25.264
flat angles P-C4'-P energy: -11.646
tors. eta vs tors. theta energy: -12.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -212.494758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.494758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.494758 (E_RNA)
where:
Base-Base interactions energy: -125.881
where: short stacking energy: -60.538
Base-Backbone interact. energy: -0.777
local terms energy: -85.836892
where:
bonds (distance) C4'-P energy: -18.268
bonds (distance) P-C4' energy: -24.455
flat angles C4'-P-C4' energy: -20.131
flat angles P-C4'-P energy: -11.472
tors. eta vs tors. theta energy: -11.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -242.442557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.442557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.442557 (E_RNA)
where:
Base-Base interactions energy: -154.230
where: short stacking energy: -65.632
Base-Backbone interact. energy: -0.520
local terms energy: -87.692933
where:
bonds (distance) C4'-P energy: -11.144
bonds (distance) P-C4' energy: -26.372
flat angles C4'-P-C4' energy: -22.613
flat angles P-C4'-P energy: -13.755
tors. eta vs tors. theta energy: -13.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -116.341409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.341409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.341409 (E_RNA)
where:
Base-Base interactions energy: -42.205
where: short stacking energy: -37.724
Base-Backbone interact. energy: 0.794
local terms energy: -74.930887
where:
bonds (distance) C4'-P energy: -18.086
bonds (distance) P-C4' energy: -17.187
flat angles C4'-P-C4' energy: -21.160
flat angles P-C4'-P energy: -16.048
tors. eta vs tors. theta energy: -2.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -328.237527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.237527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.237527 (E_RNA)
where:
Base-Base interactions energy: -223.283
where: short stacking energy: -95.327
Base-Backbone interact. energy: -0.223
local terms energy: -104.731450
where:
bonds (distance) C4'-P energy: -24.345
bonds (distance) P-C4' energy: -22.423
flat angles C4'-P-C4' energy: -20.454
flat angles P-C4'-P energy: -18.613
tors. eta vs tors. theta energy: -18.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -363.407400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.407400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.407400 (E_RNA)
where:
Base-Base interactions energy: -246.350
where: short stacking energy: -112.603
Base-Backbone interact. energy: -0.018
local terms energy: -117.039134
where:
bonds (distance) C4'-P energy: -23.154
bonds (distance) P-C4' energy: -23.364
flat angles C4'-P-C4' energy: -22.966
flat angles P-C4'-P energy: -14.553
tors. eta vs tors. theta energy: -33.002
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: 3, replica: 4
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -330.395984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.395984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.395984 (E_RNA)
where:
Base-Base interactions energy: -214.851
where: short stacking energy: -92.299
Base-Backbone interact. energy: 0.015
local terms energy: -115.560527
where:
bonds (distance) C4'-P energy: -23.353
bonds (distance) P-C4' energy: -25.599
flat angles C4'-P-C4' energy: -24.072
flat angles P-C4'-P energy: -16.897
tors. eta vs tors. theta energy: -25.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -295.466016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.466016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.466016 (E_RNA)
where:
Base-Base interactions energy: -198.478
where: short stacking energy: -91.998
Base-Backbone interact. energy: -0.068
local terms energy: -96.920069
where:
bonds (distance) C4'-P energy: -19.109
bonds (distance) P-C4' energy: -18.643
flat angles C4'-P-C4' energy: -26.078
flat angles P-C4'-P energy: -13.557
tors. eta vs tors. theta energy: -19.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -285.235939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.235939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.235939 (E_RNA)
where:
Base-Base interactions energy: -195.424
where: short stacking energy: -72.888
Base-Backbone interact. energy: -1.194
local terms energy: -88.617937
where:
bonds (distance) C4'-P energy: -18.873
bonds (distance) P-C4' energy: -21.962
flat angles C4'-P-C4' energy: -21.548
flat angles P-C4'-P energy: -12.689
tors. eta vs tors. theta energy: -13.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -257.272463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.272463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.272463 (E_RNA)
where:
Base-Base interactions energy: -160.319
where: short stacking energy: -70.976
Base-Backbone interact. energy: -0.920
local terms energy: -96.034330
where:
bonds (distance) C4'-P energy: -21.823
bonds (distance) P-C4' energy: -21.197
flat angles C4'-P-C4' energy: -19.383
flat angles P-C4'-P energy: -16.590
tors. eta vs tors. theta energy: -17.042
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: 7, replica: 8
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -261.718752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.718752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.718752 (E_RNA)
where:
Base-Base interactions energy: -167.160
where: short stacking energy: -77.444
Base-Backbone interact. energy: -0.066
local terms energy: -94.492504
where:
bonds (distance) C4'-P energy: -25.787
bonds (distance) P-C4' energy: -19.657
flat angles C4'-P-C4' energy: -17.616
flat angles P-C4'-P energy: -10.050
tors. eta vs tors. theta energy: -21.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -257.490955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.490955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.490955 (E_RNA)
where:
Base-Base interactions energy: -156.923
where: short stacking energy: -80.354
Base-Backbone interact. energy: -0.507
local terms energy: -100.061519
where:
bonds (distance) C4'-P energy: -22.438
bonds (distance) P-C4' energy: -21.362
flat angles C4'-P-C4' energy: -21.905
flat angles P-C4'-P energy: -14.013
tors. eta vs tors. theta energy: -20.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -222.969699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.969699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.969699 (E_RNA)
where:
Base-Base interactions energy: -134.623
where: short stacking energy: -63.850
Base-Backbone interact. energy: -0.264
local terms energy: -88.082273
where:
bonds (distance) C4'-P energy: -20.409
bonds (distance) P-C4' energy: -20.837
flat angles C4'-P-C4' energy: -19.081
flat angles P-C4'-P energy: -10.322
tors. eta vs tors. theta energy: -17.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -119.993371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.993371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.993371 (E_RNA)
where:
Base-Base interactions energy: -59.476
where: short stacking energy: -39.968
Base-Backbone interact. energy: -0.054
local terms energy: -60.463702
where:
bonds (distance) C4'-P energy: -17.428
bonds (distance) P-C4' energy: -20.076
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -4.672
tors. eta vs tors. theta energy: -3.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -365.980649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.980649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.980649 (E_RNA)
where:
Base-Base interactions energy: -248.426
where: short stacking energy: -110.116
Base-Backbone interact. energy: -0.525
local terms energy: -117.029670
where:
bonds (distance) C4'-P energy: -20.864
bonds (distance) P-C4' energy: -22.885
flat angles C4'-P-C4' energy: -22.091
flat angles P-C4'-P energy: -15.877
tors. eta vs tors. theta energy: -35.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -330.987989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.987989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.987989 (E_RNA)
where:
Base-Base interactions energy: -222.908
where: short stacking energy: -99.062
Base-Backbone interact. energy: -0.996
local terms energy: -107.083539
where:
bonds (distance) C4'-P energy: -19.898
bonds (distance) P-C4' energy: -23.573
flat angles C4'-P-C4' energy: -20.201
flat angles P-C4'-P energy: -17.334
tors. eta vs tors. theta energy: -26.078
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: 9
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -284.130089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.130089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.130089 (E_RNA)
where:
Base-Base interactions energy: -188.443
where: short stacking energy: -93.891
Base-Backbone interact. energy: 0.699
local terms energy: -96.386440
where:
bonds (distance) C4'-P energy: -17.498
bonds (distance) P-C4' energy: -23.867
flat angles C4'-P-C4' energy: -19.464
flat angles P-C4'-P energy: -11.199
tors. eta vs tors. theta energy: -24.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -298.815219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.815219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.815219 (E_RNA)
where:
Base-Base interactions energy: -204.823
where: short stacking energy: -77.782
Base-Backbone interact. energy: -1.671
local terms energy: -92.321996
where:
bonds (distance) C4'-P energy: -23.162
bonds (distance) P-C4' energy: -23.355
flat angles C4'-P-C4' energy: -17.906
flat angles P-C4'-P energy: -14.158
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: 3
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -288.861514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.861514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.861514 (E_RNA)
where:
Base-Base interactions energy: -183.954
where: short stacking energy: -81.077
Base-Backbone interact. energy: -0.114
local terms energy: -104.793026
where:
bonds (distance) C4'-P energy: -22.991
bonds (distance) P-C4' energy: -22.204
flat angles C4'-P-C4' energy: -22.429
flat angles P-C4'-P energy: -15.331
tors. eta vs tors. theta energy: -21.837
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: 6
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -262.981604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.981604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.981604 (E_RNA)
where:
Base-Base interactions energy: -173.242
where: short stacking energy: -73.479
Base-Backbone interact. energy: -0.514
local terms energy: -89.225984
where:
bonds (distance) C4'-P energy: -18.340
bonds (distance) P-C4' energy: -20.206
flat angles C4'-P-C4' energy: -18.942
flat angles P-C4'-P energy: -14.358
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: 7, replica: 8
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -254.029256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.029256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.029256 (E_RNA)
where:
Base-Base interactions energy: -165.358
where: short stacking energy: -72.110
Base-Backbone interact. energy: -0.224
local terms energy: -88.447446
where:
bonds (distance) C4'-P energy: -18.148
bonds (distance) P-C4' energy: -24.757
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -15.234
tors. eta vs tors. theta energy: -15.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -233.513422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.513422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.513422 (E_RNA)
where:
Base-Base interactions energy: -156.243
where: short stacking energy: -66.849
Base-Backbone interact. energy: -0.159
local terms energy: -77.111271
where:
bonds (distance) C4'-P energy: -21.286
bonds (distance) P-C4' energy: -19.313
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -15.059
tors. eta vs tors. theta energy: -7.367
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: 1
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -239.590590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.590590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.590590 (E_RNA)
where:
Base-Base interactions energy: -147.171
where: short stacking energy: -66.816
Base-Backbone interact. energy: -0.192
local terms energy: -92.227554
where:
bonds (distance) C4'-P energy: -19.187
bonds (distance) P-C4' energy: -26.580
flat angles C4'-P-C4' energy: -23.133
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: -12.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -100.370184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.370184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.370184 (E_RNA)
where:
Base-Base interactions energy: -33.559
where: short stacking energy: -33.559
Base-Backbone interact. energy: -0.940
local terms energy: -65.871230
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -19.830
flat angles C4'-P-C4' energy: -17.745
flat angles P-C4'-P energy: -7.087
tors. eta vs tors. theta energy: -3.926
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: 1, replica: 5
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -352.057620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.057620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.057620 (E_RNA)
where:
Base-Base interactions energy: -231.987
where: short stacking energy: -107.028
Base-Backbone interact. energy: -0.123
local terms energy: -119.947366
where:
bonds (distance) C4'-P energy: -22.819
bonds (distance) P-C4' energy: -24.781
flat angles C4'-P-C4' energy: -24.925
flat angles P-C4'-P energy: -14.480
tors. eta vs tors. theta energy: -32.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -338.159184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.159184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.159184 (E_RNA)
where:
Base-Base interactions energy: -227.854
where: short stacking energy: -104.126
Base-Backbone interact. energy: -0.041
local terms energy: -110.263567
where:
bonds (distance) C4'-P energy: -20.574
bonds (distance) P-C4' energy: -20.204
flat angles C4'-P-C4' energy: -26.427
flat angles P-C4'-P energy: -15.829
tors. eta vs tors. theta energy: -27.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -291.591345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.591345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.591345 (E_RNA)
where:
Base-Base interactions energy: -180.932
where: short stacking energy: -90.245
Base-Backbone interact. energy: -0.520
local terms energy: -110.139445
where:
bonds (distance) C4'-P energy: -24.171
bonds (distance) P-C4' energy: -24.134
flat angles C4'-P-C4' energy: -18.915
flat angles P-C4'-P energy: -18.577
tors. eta vs tors. theta energy: -24.342
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: 3
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -297.016532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.016532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.016532 (E_RNA)
where:
Base-Base interactions energy: -198.617
where: short stacking energy: -87.079
Base-Backbone interact. energy: -0.441
local terms energy: -97.958509
where:
bonds (distance) C4'-P energy: -18.168
bonds (distance) P-C4' energy: -21.678
flat angles C4'-P-C4' energy: -21.196
flat angles P-C4'-P energy: -15.375
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: 5, replica: 4
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -289.614227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.614227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.614227 (E_RNA)
where:
Base-Base interactions energy: -182.518
where: short stacking energy: -94.196
Base-Backbone interact. energy: -0.060
local terms energy: -107.036279
where:
bonds (distance) C4'-P energy: -19.308
bonds (distance) P-C4' energy: -27.498
flat angles C4'-P-C4' energy: -29.012
flat angles P-C4'-P energy: -10.929
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: 6, replica: 6
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -273.205604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.205604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.205604 (E_RNA)
where:
Base-Base interactions energy: -173.863
where: short stacking energy: -85.809
Base-Backbone interact. energy: -0.588
local terms energy: -98.754482
where:
bonds (distance) C4'-P energy: -17.760
bonds (distance) P-C4' energy: -21.401
flat angles C4'-P-C4' energy: -18.699
flat angles P-C4'-P energy: -14.921
tors. eta vs tors. theta energy: -25.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -233.914682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.914682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.914682 (E_RNA)
where:
Base-Base interactions energy: -138.000
where: short stacking energy: -61.650
Base-Backbone interact. energy: -0.103
local terms energy: -95.811111
where:
bonds (distance) C4'-P energy: -21.485
bonds (distance) P-C4' energy: -21.717
flat angles C4'-P-C4' energy: -24.415
flat angles P-C4'-P energy: -13.652
tors. eta vs tors. theta energy: -14.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -248.499796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.499796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.499796 (E_RNA)
where:
Base-Base interactions energy: -161.760
where: short stacking energy: -82.099
Base-Backbone interact. energy: -0.172
local terms energy: -86.566898
where:
bonds (distance) C4'-P energy: -15.860
bonds (distance) P-C4' energy: -19.971
flat angles C4'-P-C4' energy: -24.152
flat angles P-C4'-P energy: -13.127
tors. eta vs tors. theta energy: -13.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -219.106293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.106293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.106293 (E_RNA)
where:
Base-Base interactions energy: -129.285
where: short stacking energy: -56.970
Base-Backbone interact. energy: -0.122
local terms energy: -89.698818
where:
bonds (distance) C4'-P energy: -23.033
bonds (distance) P-C4' energy: -24.927
flat angles C4'-P-C4' energy: -15.221
flat angles P-C4'-P energy: -16.164
tors. eta vs tors. theta energy: -10.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -115.024076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.024076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.024076 (E_RNA)
where:
Base-Base interactions energy: -35.677
where: short stacking energy: -30.665
Base-Backbone interact. energy: 0.889
local terms energy: -80.236014
where:
bonds (distance) C4'-P energy: -19.982
bonds (distance) P-C4' energy: -20.656
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -18.662
tors. eta vs tors. theta energy: -5.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -333.028628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.028628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.028628 (E_RNA)
where:
Base-Base interactions energy: -219.244
where: short stacking energy: -86.518
Base-Backbone interact. energy: 0.104
local terms energy: -113.888443
where:
bonds (distance) C4'-P energy: -22.695
bonds (distance) P-C4' energy: -24.405
flat angles C4'-P-C4' energy: -22.312
flat angles P-C4'-P energy: -14.529
tors. eta vs tors. theta energy: -29.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -354.428753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.428753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.428753 (E_RNA)
where:
Base-Base interactions energy: -233.401
where: short stacking energy: -107.465
Base-Backbone interact. energy: -0.016
local terms energy: -121.011732
where:
bonds (distance) C4'-P energy: -22.960
bonds (distance) P-C4' energy: -24.638
flat angles C4'-P-C4' energy: -25.911
flat angles P-C4'-P energy: -15.696
tors. eta vs tors. theta energy: -31.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -320.742751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.742751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.742751 (E_RNA)
where:
Base-Base interactions energy: -212.999
where: short stacking energy: -97.128
Base-Backbone interact. energy: 0.063
local terms energy: -107.806811
where:
bonds (distance) C4'-P energy: -21.272
bonds (distance) P-C4' energy: -24.740
flat angles C4'-P-C4' energy: -23.924
flat angles P-C4'-P energy: -15.281
tors. eta vs tors. theta energy: -22.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -281.477014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.477014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.477014 (E_RNA)
where:
Base-Base interactions energy: -173.328
where: short stacking energy: -78.377
Base-Backbone interact. energy: -0.207
local terms energy: -107.942031
where:
bonds (distance) C4'-P energy: -21.530
bonds (distance) P-C4' energy: -22.032
flat angles C4'-P-C4' energy: -23.266
flat angles P-C4'-P energy: -16.476
tors. eta vs tors. theta energy: -24.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -277.594125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.594125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.594125 (E_RNA)
where:
Base-Base interactions energy: -171.978
where: short stacking energy: -76.029
Base-Backbone interact. energy: -0.103
local terms energy: -105.513122
where:
bonds (distance) C4'-P energy: -24.335
bonds (distance) P-C4' energy: -23.613
flat angles C4'-P-C4' energy: -21.221
flat angles P-C4'-P energy: -16.703
tors. eta vs tors. theta energy: -19.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -273.607242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.607242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.607242 (E_RNA)
where:
Base-Base interactions energy: -171.805
where: short stacking energy: -85.108
Base-Backbone interact. energy: -0.003
local terms energy: -101.798932
where:
bonds (distance) C4'-P energy: -20.205
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -20.825
flat angles P-C4'-P energy: -16.450
tors. eta vs tors. theta energy: -27.242
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: 7, replica: 1
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -261.532640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.532640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.532640 (E_RNA)
where:
Base-Base interactions energy: -165.417
where: short stacking energy: -89.855
Base-Backbone interact. energy: -0.765
local terms energy: -95.351427
where:
bonds (distance) C4'-P energy: -11.392
bonds (distance) P-C4' energy: -22.931
flat angles C4'-P-C4' energy: -23.327
flat angles P-C4'-P energy: -10.559
tors. eta vs tors. theta energy: -27.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -233.970424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.970424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.970424 (E_RNA)
where:
Base-Base interactions energy: -150.313
where: short stacking energy: -65.882
Base-Backbone interact. energy: 0.175
local terms energy: -83.833143
where:
bonds (distance) C4'-P energy: -19.647
bonds (distance) P-C4' energy: -16.248
flat angles C4'-P-C4' energy: -17.944
flat angles P-C4'-P energy: -16.054
tors. eta vs tors. theta energy: -13.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -203.888704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.888704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.888704 (E_RNA)
where:
Base-Base interactions energy: -126.802
where: short stacking energy: -55.058
Base-Backbone interact. energy: -0.130
local terms energy: -76.957323
where:
bonds (distance) C4'-P energy: -21.192
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -18.216
flat angles P-C4'-P energy: -6.988
tors. eta vs tors. theta energy: -13.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -107.088719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.088719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.088719 (E_RNA)
where:
Base-Base interactions energy: -43.719
where: short stacking energy: -38.264
Base-Backbone interact. energy: -0.697
local terms energy: -62.671769
where:
bonds (distance) C4'-P energy: -18.036
bonds (distance) P-C4' energy: -17.494
flat angles C4'-P-C4' energy: -16.138
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: -1.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -325.458707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.458707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.458707 (E_RNA)
where:
Base-Base interactions energy: -220.473
where: short stacking energy: -90.520
Base-Backbone interact. energy: -0.297
local terms energy: -104.688950
where:
bonds (distance) C4'-P energy: -23.423
bonds (distance) P-C4' energy: -21.001
flat angles C4'-P-C4' energy: -25.283
flat angles P-C4'-P energy: -14.105
tors. eta vs tors. theta energy: -20.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -354.194573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.194573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.194573 (E_RNA)
where:
Base-Base interactions energy: -235.434
where: short stacking energy: -106.242
Base-Backbone interact. energy: -0.006
local terms energy: -118.754453
where:
bonds (distance) C4'-P energy: -19.913
bonds (distance) P-C4' energy: -24.233
flat angles C4'-P-C4' energy: -19.258
flat angles P-C4'-P energy: -20.169
tors. eta vs tors. theta energy: -35.181
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: 3, replica: 3
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -314.389301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.389301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.389301 (E_RNA)
where:
Base-Base interactions energy: -216.771
where: short stacking energy: -86.637
Base-Backbone interact. energy: 0.053
local terms energy: -97.671248
where:
bonds (distance) C4'-P energy: -25.116
bonds (distance) P-C4' energy: -22.056
flat angles C4'-P-C4' energy: -20.289
flat angles P-C4'-P energy: -12.607
tors. eta vs tors. theta energy: -17.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -288.404736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.404736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.404736 (E_RNA)
where:
Base-Base interactions energy: -176.629
where: short stacking energy: -74.993
Base-Backbone interact. energy: -0.234
local terms energy: -111.541753
where:
bonds (distance) C4'-P energy: -23.517
bonds (distance) P-C4' energy: -27.746
flat angles C4'-P-C4' energy: -23.455
flat angles P-C4'-P energy: -13.606
tors. eta vs tors. theta energy: -23.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -285.193552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.193552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.193552 (E_RNA)
where:
Base-Base interactions energy: -182.566
where: short stacking energy: -88.040
Base-Backbone interact. energy: -0.437
local terms energy: -102.190788
where:
bonds (distance) C4'-P energy: -17.380
bonds (distance) P-C4' energy: -26.501
flat angles C4'-P-C4' energy: -25.894
flat angles P-C4'-P energy: -7.810
tors. eta vs tors. theta energy: -24.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -284.171618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.171618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.171618 (E_RNA)
where:
Base-Base interactions energy: -184.037
where: short stacking energy: -83.671
Base-Backbone interact. energy: -0.136
local terms energy: -99.998409
where:
bonds (distance) C4'-P energy: -20.178
bonds (distance) P-C4' energy: -24.593
flat angles C4'-P-C4' energy: -19.222
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -25.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -250.944374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.944374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.944374 (E_RNA)
where:
Base-Base interactions energy: -155.912
where: short stacking energy: -70.844
Base-Backbone interact. energy: -0.216
local terms energy: -94.816788
where:
bonds (distance) C4'-P energy: -21.626
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -23.246
flat angles P-C4'-P energy: -14.284
tors. eta vs tors. theta energy: -20.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -244.804846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.804846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.804846 (E_RNA)
where:
Base-Base interactions energy: -165.446
where: short stacking energy: -71.585
Base-Backbone interact. energy: -0.235
local terms energy: -79.124297
where:
bonds (distance) C4'-P energy: -20.177
bonds (distance) P-C4' energy: -19.489
flat angles C4'-P-C4' energy: -21.992
flat angles P-C4'-P energy: -6.795
tors. eta vs tors. theta energy: -10.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -192.685294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.685294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.685294 (E_RNA)
where:
Base-Base interactions energy: -111.431
where: short stacking energy: -52.286
Base-Backbone interact. energy: -1.150
local terms energy: -80.105197
where:
bonds (distance) C4'-P energy: -21.237
bonds (distance) P-C4' energy: -19.996
flat angles C4'-P-C4' energy: -18.141
flat angles P-C4'-P energy: -12.037
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: 10, replica: 2
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -117.120337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.120337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.120337 (E_RNA)
where:
Base-Base interactions energy: -41.440
where: short stacking energy: -38.004
Base-Backbone interact. energy: 0.038
local terms energy: -75.719265
where:
bonds (distance) C4'-P energy: -22.470
bonds (distance) P-C4' energy: -22.180
flat angles C4'-P-C4' energy: -14.117
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: -5.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -360.983419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.983419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.983419 (E_RNA)
where:
Base-Base interactions energy: -245.679
where: short stacking energy: -97.480
Base-Backbone interact. energy: 0.026
local terms energy: -115.330307
where:
bonds (distance) C4'-P energy: -22.692
bonds (distance) P-C4' energy: -24.240
flat angles C4'-P-C4' energy: -22.481
flat angles P-C4'-P energy: -16.568
tors. eta vs tors. theta energy: -29.350
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: 464
Temperature: 0.950000
Total energy: -323.068734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.068734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.068734 (E_RNA)
where:
Base-Base interactions energy: -219.736
where: short stacking energy: -91.589
Base-Backbone interact. energy: -1.439
local terms energy: -101.894382
where:
bonds (distance) C4'-P energy: -18.037
bonds (distance) P-C4' energy: -22.652
flat angles C4'-P-C4' energy: -20.685
flat angles P-C4'-P energy: -15.728
tors. eta vs tors. theta energy: -24.793
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: 3, replica: 3
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -314.787519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.787519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.787519 (E_RNA)
where:
Base-Base interactions energy: -215.794
where: short stacking energy: -90.427
Base-Backbone interact. energy: -0.940
local terms energy: -98.053908
where:
bonds (distance) C4'-P energy: -23.207
bonds (distance) P-C4' energy: -18.292
flat angles C4'-P-C4' energy: -19.512
flat angles P-C4'-P energy: -15.207
tors. eta vs tors. theta energy: -21.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -293.546179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.546179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.546179 (E_RNA)
where:
Base-Base interactions energy: -197.742
where: short stacking energy: -80.452
Base-Backbone interact. energy: -1.221
local terms energy: -94.582779
where:
bonds (distance) C4'-P energy: -21.035
bonds (distance) P-C4' energy: -21.456
flat angles C4'-P-C4' energy: -21.558
flat angles P-C4'-P energy: -10.671
tors. eta vs tors. theta energy: -19.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -308.756313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.756313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.756313 (E_RNA)
where:
Base-Base interactions energy: -211.645
where: short stacking energy: -91.187
Base-Backbone interact. energy: -0.031
local terms energy: -97.080641
where:
bonds (distance) C4'-P energy: -24.353
bonds (distance) P-C4' energy: -19.876
flat angles C4'-P-C4' energy: -17.718
flat angles P-C4'-P energy: -13.250
tors. eta vs tors. theta energy: -21.883
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: 9
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -264.731047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.731047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.731047 (E_RNA)
where:
Base-Base interactions energy: -179.764
where: short stacking energy: -78.384
Base-Backbone interact. energy: -0.111
local terms energy: -84.855969
where:
bonds (distance) C4'-P energy: -21.825
bonds (distance) P-C4' energy: -15.151
flat angles C4'-P-C4' energy: -17.791
flat angles P-C4'-P energy: -13.469
tors. eta vs tors. theta energy: -16.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -267.587801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.587801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.587801 (E_RNA)
where:
Base-Base interactions energy: -171.432
where: short stacking energy: -76.199
Base-Backbone interact. energy: -0.231
local terms energy: -95.924159
where:
bonds (distance) C4'-P energy: -22.471
bonds (distance) P-C4' energy: -17.474
flat angles C4'-P-C4' energy: -17.972
flat angles P-C4'-P energy: -16.587
tors. eta vs tors. theta energy: -21.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -225.945062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.945062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.945062 (E_RNA)
where:
Base-Base interactions energy: -148.383
where: short stacking energy: -64.264
Base-Backbone interact. energy: -0.294
local terms energy: -77.267830
where:
bonds (distance) C4'-P energy: -12.163
bonds (distance) P-C4' energy: -19.920
flat angles C4'-P-C4' energy: -12.883
flat angles P-C4'-P energy: -16.372
tors. eta vs tors. theta energy: -15.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -215.553692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.553692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.553692 (E_RNA)
where:
Base-Base interactions energy: -141.027
where: short stacking energy: -60.307
Base-Backbone interact. energy: -0.220
local terms energy: -74.305858
where:
bonds (distance) C4'-P energy: -12.553
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -20.000
flat angles P-C4'-P energy: -10.742
tors. eta vs tors. theta energy: -13.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -116.828891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.828891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.828891 (E_RNA)
where:
Base-Base interactions energy: -40.359
where: short stacking energy: -34.902
Base-Backbone interact. energy: -0.689
local terms energy: -75.780727
where:
bonds (distance) C4'-P energy: -21.648
bonds (distance) P-C4' energy: -22.154
flat angles C4'-P-C4' energy: -20.933
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -0.415
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: 5
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -376.018553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.018553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.018553 (E_RNA)
where:
Base-Base interactions energy: -254.353
where: short stacking energy: -109.332
Base-Backbone interact. energy: -0.033
local terms energy: -121.632300
where:
bonds (distance) C4'-P energy: -23.766
bonds (distance) P-C4' energy: -22.517
flat angles C4'-P-C4' energy: -25.637
flat angles P-C4'-P energy: -17.777
tors. eta vs tors. theta energy: -31.936
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: 2, replica: 7
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -326.133491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.133491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.133491 (E_RNA)
where:
Base-Base interactions energy: -217.501
where: short stacking energy: -97.596
Base-Backbone interact. energy: -0.273
local terms energy: -108.359072
where:
bonds (distance) C4'-P energy: -20.135
bonds (distance) P-C4' energy: -22.747
flat angles C4'-P-C4' energy: -23.833
flat angles P-C4'-P energy: -17.300
tors. eta vs tors. theta energy: -24.342
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: 3
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -316.827835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.827835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.827835 (E_RNA)
where:
Base-Base interactions energy: -208.059
where: short stacking energy: -93.418
Base-Backbone interact. energy: -0.508
local terms energy: -108.260589
where:
bonds (distance) C4'-P energy: -24.708
bonds (distance) P-C4' energy: -9.688
flat angles C4'-P-C4' energy: -26.363
flat angles P-C4'-P energy: -22.186
tors. eta vs tors. theta energy: -25.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -290.122723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.122723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.122723 (E_RNA)
where:
Base-Base interactions energy: -181.697
where: short stacking energy: -83.525
Base-Backbone interact. energy: -0.121
local terms energy: -108.304918
where:
bonds (distance) C4'-P energy: -24.972
bonds (distance) P-C4' energy: -24.598
flat angles C4'-P-C4' energy: -22.390
flat angles P-C4'-P energy: -14.504
tors. eta vs tors. theta energy: -21.841
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: 4
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -272.466554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.466554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.466554 (E_RNA)
where:
Base-Base interactions energy: -178.086
where: short stacking energy: -82.577
Base-Backbone interact. energy: -0.382
local terms energy: -93.998290
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -25.336
flat angles C4'-P-C4' energy: -19.764
flat angles P-C4'-P energy: -13.553
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: 6, replica: 8
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -269.146393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.146393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.146393 (E_RNA)
where:
Base-Base interactions energy: -163.319
where: short stacking energy: -79.236
Base-Backbone interact. energy: 0.849
local terms energy: -106.676218
where:
bonds (distance) C4'-P energy: -23.629
bonds (distance) P-C4' energy: -17.351
flat angles C4'-P-C4' energy: -24.357
flat angles P-C4'-P energy: -17.504
tors. eta vs tors. theta energy: -23.836
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: 7, replica: 9
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -254.631254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.631254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.631254 (E_RNA)
where:
Base-Base interactions energy: -161.486
where: short stacking energy: -77.233
Base-Backbone interact. energy: -0.628
local terms energy: -92.517925
where:
bonds (distance) C4'-P energy: -17.515
bonds (distance) P-C4' energy: -19.974
flat angles C4'-P-C4' energy: -23.129
flat angles P-C4'-P energy: -13.951
tors. eta vs tors. theta energy: -17.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -225.819459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.819459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.819459 (E_RNA)
where:
Base-Base interactions energy: -140.542
where: short stacking energy: -67.093
Base-Backbone interact. energy: -0.911
local terms energy: -84.366799
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -20.181
flat angles C4'-P-C4' energy: -16.027
flat angles P-C4'-P energy: -15.238
tors. eta vs tors. theta energy: -18.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -197.760542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.760542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.760542 (E_RNA)
where:
Base-Base interactions energy: -111.140
where: short stacking energy: -60.629
Base-Backbone interact. energy: -1.437
local terms energy: -85.183409
where:
bonds (distance) C4'-P energy: -20.462
bonds (distance) P-C4' energy: -23.378
flat angles C4'-P-C4' energy: -12.634
flat angles P-C4'-P energy: -16.765
tors. eta vs tors. theta energy: -11.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -112.870505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.870505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.870505 (E_RNA)
where:
Base-Base interactions energy: -39.675
where: short stacking energy: -34.623
Base-Backbone interact. energy: -0.495
local terms energy: -72.700502
where:
bonds (distance) C4'-P energy: -16.654
bonds (distance) P-C4' energy: -17.189
flat angles C4'-P-C4' energy: -20.896
flat angles P-C4'-P energy: -14.434
tors. eta vs tors. theta energy: -3.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -366.388806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.388806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.388806 (E_RNA)
where:
Base-Base interactions energy: -250.245
where: short stacking energy: -101.326
Base-Backbone interact. energy: -0.056
local terms energy: -116.088023
where:
bonds (distance) C4'-P energy: -23.729
bonds (distance) P-C4' energy: -23.646
flat angles C4'-P-C4' energy: -19.108
flat angles P-C4'-P energy: -14.194
tors. eta vs tors. theta energy: -35.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -330.328455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.328455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.328455 (E_RNA)
where:
Base-Base interactions energy: -226.913
where: short stacking energy: -103.693
Base-Backbone interact. energy: 0.357
local terms energy: -103.772922
where:
bonds (distance) C4'-P energy: -20.819
bonds (distance) P-C4' energy: -19.195
flat angles C4'-P-C4' energy: -24.229
flat angles P-C4'-P energy: -14.113
tors. eta vs tors. theta energy: -25.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -322.638196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.638196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.638196 (E_RNA)
where:
Base-Base interactions energy: -213.996
where: short stacking energy: -91.572
Base-Backbone interact. energy: -0.659
local terms energy: -107.983749
where:
bonds (distance) C4'-P energy: -22.702
bonds (distance) P-C4' energy: -20.772
flat angles C4'-P-C4' energy: -21.306
flat angles P-C4'-P energy: -15.640
tors. eta vs tors. theta energy: -27.564
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: 6
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -292.524010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.524010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.524010 (E_RNA)
where:
Base-Base interactions energy: -188.557
where: short stacking energy: -88.256
Base-Backbone interact. energy: -0.454
local terms energy: -103.513575
where:
bonds (distance) C4'-P energy: -24.256
bonds (distance) P-C4' energy: -22.837
flat angles C4'-P-C4' energy: -20.400
flat angles P-C4'-P energy: -12.545
tors. eta vs tors. theta energy: -23.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -275.316781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.316781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.316781 (E_RNA)
where:
Base-Base interactions energy: -189.842
where: short stacking energy: -78.716
Base-Backbone interact. energy: -0.687
local terms energy: -84.787967
where:
bonds (distance) C4'-P energy: -18.917
bonds (distance) P-C4' energy: -20.413
flat angles C4'-P-C4' energy: -17.750
flat angles P-C4'-P energy: -15.359
tors. eta vs tors. theta energy: -12.349
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: 8
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -266.572393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.572393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.572393 (E_RNA)
where:
Base-Base interactions energy: -176.836
where: short stacking energy: -75.975
Base-Backbone interact. energy: -0.774
local terms energy: -88.962019
where:
bonds (distance) C4'-P energy: -20.117
bonds (distance) P-C4' energy: -20.563
flat angles C4'-P-C4' energy: -19.985
flat angles P-C4'-P energy: -13.341
tors. eta vs tors. theta energy: -14.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -246.243899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.243899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.243899 (E_RNA)
where:
Base-Base interactions energy: -164.674
where: short stacking energy: -73.220
Base-Backbone interact. energy: -0.481
local terms energy: -81.088510
where:
bonds (distance) C4'-P energy: -21.994
bonds (distance) P-C4' energy: -22.416
flat angles C4'-P-C4' energy: -11.932
flat angles P-C4'-P energy: -8.134
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: 8, replica: 1
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -199.787812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.787812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.787812 (E_RNA)
where:
Base-Base interactions energy: -113.653
where: short stacking energy: -48.123
Base-Backbone interact. energy: -0.485
local terms energy: -85.649478
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -25.945
flat angles C4'-P-C4' energy: -20.050
flat angles P-C4'-P energy: -15.440
tors. eta vs tors. theta energy: -6.621
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: 10
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -196.992371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.992371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.992371 (E_RNA)
where:
Base-Base interactions energy: -112.759
where: short stacking energy: -57.641
Base-Backbone interact. energy: -1.021
local terms energy: -83.212506
where:
bonds (distance) C4'-P energy: -20.512
bonds (distance) P-C4' energy: -22.547
flat angles C4'-P-C4' energy: -23.195
flat angles P-C4'-P energy: -11.464
tors. eta vs tors. theta energy: -5.494
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: 2
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -105.845525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.845525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.845525 (E_RNA)
where:
Base-Base interactions energy: -38.430
where: short stacking energy: -34.371
Base-Backbone interact. energy: -0.817
local terms energy: -66.598389
where:
bonds (distance) C4'-P energy: -17.383
bonds (distance) P-C4' energy: -21.354
flat angles C4'-P-C4' energy: -20.729
flat angles P-C4'-P energy: -9.681
tors. eta vs tors. theta energy: 2.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -365.531273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.531273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.531273 (E_RNA)
where:
Base-Base interactions energy: -242.695
where: short stacking energy: -107.574
Base-Backbone interact. energy: -0.002
local terms energy: -122.834099
where:
bonds (distance) C4'-P energy: -18.546
bonds (distance) P-C4' energy: -25.464
flat angles C4'-P-C4' energy: -22.745
flat angles P-C4'-P energy: -20.604
tors. eta vs tors. theta energy: -35.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -322.929734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.929734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.929734 (E_RNA)
where:
Base-Base interactions energy: -217.211
where: short stacking energy: -99.485
Base-Backbone interact. energy: 0.246
local terms energy: -105.964722
where:
bonds (distance) C4'-P energy: -23.616
bonds (distance) P-C4' energy: -23.913
flat angles C4'-P-C4' energy: -23.437
flat angles P-C4'-P energy: -11.260
tors. eta vs tors. theta energy: -23.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -315.218208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.218208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.218208 (E_RNA)
where:
Base-Base interactions energy: -209.199
where: short stacking energy: -76.607
Base-Backbone interact. energy: -0.631
local terms energy: -105.387699
where:
bonds (distance) C4'-P energy: -23.484
bonds (distance) P-C4' energy: -25.431
flat angles C4'-P-C4' energy: -24.197
flat angles P-C4'-P energy: -11.096
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: 4, replica: 4
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -294.669857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.669857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.669857 (E_RNA)
where:
Base-Base interactions energy: -192.919
where: short stacking energy: -95.657
Base-Backbone interact. energy: -0.050
local terms energy: -101.700398
where:
bonds (distance) C4'-P energy: -19.488
bonds (distance) P-C4' energy: -21.953
flat angles C4'-P-C4' energy: -22.753
flat angles P-C4'-P energy: -16.414
tors. eta vs tors. theta energy: -21.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -272.711161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.711161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.711161 (E_RNA)
where:
Base-Base interactions energy: -175.563
where: short stacking energy: -76.230
Base-Backbone interact. energy: -0.442
local terms energy: -96.705836
where:
bonds (distance) C4'-P energy: -18.512
bonds (distance) P-C4' energy: -23.287
flat angles C4'-P-C4' energy: -19.267
flat angles P-C4'-P energy: -17.104
tors. eta vs tors. theta energy: -18.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -267.780573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.780573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.780573 (E_RNA)
where:
Base-Base interactions energy: -175.226
where: short stacking energy: -71.130
Base-Backbone interact. energy: -0.182
local terms energy: -92.372390
where:
bonds (distance) C4'-P energy: -23.854
bonds (distance) P-C4' energy: -16.595
flat angles C4'-P-C4' energy: -18.248
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: -22.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -248.662025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.662025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.662025 (E_RNA)
where:
Base-Base interactions energy: -152.904
where: short stacking energy: -61.280
Base-Backbone interact. energy: -0.264
local terms energy: -95.494161
where:
bonds (distance) C4'-P energy: -20.238
bonds (distance) P-C4' energy: -26.153
flat angles C4'-P-C4' energy: -23.513
flat angles P-C4'-P energy: -15.201
tors. eta vs tors. theta energy: -10.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -206.190356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.190356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.190356 (E_RNA)
where:
Base-Base interactions energy: -119.588
where: short stacking energy: -63.411
Base-Backbone interact. energy: -0.126
local terms energy: -86.475549
where:
bonds (distance) C4'-P energy: -21.611
bonds (distance) P-C4' energy: -20.039
flat angles C4'-P-C4' energy: -20.896
flat angles P-C4'-P energy: -11.109
tors. eta vs tors. theta energy: -12.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -226.107747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.107747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.107747 (E_RNA)
where:
Base-Base interactions energy: -148.810
where: short stacking energy: -66.061
Base-Backbone interact. energy: -0.189
local terms energy: -77.108822
where:
bonds (distance) C4'-P energy: -18.866
bonds (distance) P-C4' energy: -19.800
flat angles C4'-P-C4' energy: -19.250
flat angles P-C4'-P energy: -6.306
tors. eta vs tors. theta energy: -12.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -147.220601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.220601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.220601 (E_RNA)
where:
Base-Base interactions energy: -82.711
where: short stacking energy: -32.858
Base-Backbone interact. energy: -0.342
local terms energy: -64.166697
where:
bonds (distance) C4'-P energy: -11.369
bonds (distance) P-C4' energy: -23.765
flat angles C4'-P-C4' energy: -18.757
flat angles P-C4'-P energy: -11.621
tors. eta vs tors. theta energy: 1.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -369.404051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.404051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.404051 (E_RNA)
where:
Base-Base interactions energy: -257.057
where: short stacking energy: -105.761
Base-Backbone interact. energy: -0.077
local terms energy: -112.269973
where:
bonds (distance) C4'-P energy: -19.780
bonds (distance) P-C4' energy: -19.240
flat angles C4'-P-C4' energy: -26.016
flat angles P-C4'-P energy: -13.057
tors. eta vs tors. theta energy: -34.177
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: 7
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -318.414131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.414131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.414131 (E_RNA)
where:
Base-Base interactions energy: -215.086
where: short stacking energy: -103.144
Base-Backbone interact. energy: -0.051
local terms energy: -103.277317
where:
bonds (distance) C4'-P energy: -19.540
bonds (distance) P-C4' energy: -23.013
flat angles C4'-P-C4' energy: -23.334
flat angles P-C4'-P energy: -14.556
tors. eta vs tors. theta energy: -22.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -311.496760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.496760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.496760 (E_RNA)
where:
Base-Base interactions energy: -205.447
where: short stacking energy: -83.484
Base-Backbone interact. energy: -0.778
local terms energy: -105.271737
where:
bonds (distance) C4'-P energy: -19.378
bonds (distance) P-C4' energy: -24.990
flat angles C4'-P-C4' energy: -24.024
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -26.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -282.721016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.721016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.721016 (E_RNA)
where:
Base-Base interactions energy: -180.375
where: short stacking energy: -77.516
Base-Backbone interact. energy: -0.093
local terms energy: -102.253069
where:
bonds (distance) C4'-P energy: -22.983
bonds (distance) P-C4' energy: -20.185
flat angles C4'-P-C4' energy: -25.724
flat angles P-C4'-P energy: -16.448
tors. eta vs tors. theta energy: -16.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -267.459217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.459217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.459217 (E_RNA)
where:
Base-Base interactions energy: -184.539
where: short stacking energy: -76.118
Base-Backbone interact. energy: -0.397
local terms energy: -82.523512
where:
bonds (distance) C4'-P energy: -14.081
bonds (distance) P-C4' energy: -18.431
flat angles C4'-P-C4' energy: -22.190
flat angles P-C4'-P energy: -12.157
tors. eta vs tors. theta energy: -15.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -260.363658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.363658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.363658 (E_RNA)
where:
Base-Base interactions energy: -164.048
where: short stacking energy: -78.798
Base-Backbone interact. energy: -0.961
local terms energy: -95.354807
where:
bonds (distance) C4'-P energy: -14.658
bonds (distance) P-C4' energy: -21.804
flat angles C4'-P-C4' energy: -21.742
flat angles P-C4'-P energy: -13.583
tors. eta vs tors. theta energy: -23.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -260.751478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.751478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.751478 (E_RNA)
where:
Base-Base interactions energy: -177.029
where: short stacking energy: -85.321
Base-Backbone interact. energy: -0.183
local terms energy: -83.539529
where:
bonds (distance) C4'-P energy: -11.160
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -20.849
flat angles P-C4'-P energy: -16.489
tors. eta vs tors. theta energy: -21.822
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: 8, replica: 10
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -221.070181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.070181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.070181 (E_RNA)
where:
Base-Base interactions energy: -143.840
where: short stacking energy: -68.251
Base-Backbone interact. energy: -0.066
local terms energy: -77.163651
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -21.991
flat angles C4'-P-C4' energy: -21.989
flat angles P-C4'-P energy: -1.421
tors. eta vs tors. theta energy: -16.156
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: 1
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -242.061193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.061193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.061193 (E_RNA)
where:
Base-Base interactions energy: -150.357
where: short stacking energy: -74.050
Base-Backbone interact. energy: 1.473
local terms energy: -93.177084
where:
bonds (distance) C4'-P energy: -22.867
bonds (distance) P-C4' energy: -19.217
flat angles C4'-P-C4' energy: -17.978
flat angles P-C4'-P energy: -12.339
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: 10, replica: 2
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -126.742881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.742881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.742881 (E_RNA)
where:
Base-Base interactions energy: -41.309
where: short stacking energy: -30.435
Base-Backbone interact. energy: -0.482
local terms energy: -84.951876
where:
bonds (distance) C4'-P energy: -21.183
bonds (distance) P-C4' energy: -24.209
flat angles C4'-P-C4' energy: -24.018
flat angles P-C4'-P energy: -15.227
tors. eta vs tors. theta energy: -0.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -374.172495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.172495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.172495 (E_RNA)
where:
Base-Base interactions energy: -251.479
where: short stacking energy: -101.485
Base-Backbone interact. energy: -0.184
local terms energy: -122.509795
where:
bonds (distance) C4'-P energy: -26.757
bonds (distance) P-C4' energy: -24.058
flat angles C4'-P-C4' energy: -23.604
flat angles P-C4'-P energy: -12.833
tors. eta vs tors. theta energy: -35.258
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: 2, replica: 3
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -335.452687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.452687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.452687 (E_RNA)
where:
Base-Base interactions energy: -216.538
where: short stacking energy: -102.000
Base-Backbone interact. energy: -0.723
local terms energy: -118.191760
where:
bonds (distance) C4'-P energy: -24.072
bonds (distance) P-C4' energy: -21.916
flat angles C4'-P-C4' energy: -26.323
flat angles P-C4'-P energy: -19.262
tors. eta vs tors. theta energy: -26.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -314.028047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.028047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.028047 (E_RNA)
where:
Base-Base interactions energy: -211.507
where: short stacking energy: -92.899
Base-Backbone interact. energy: -0.360
local terms energy: -102.160843
where:
bonds (distance) C4'-P energy: -23.804
bonds (distance) P-C4' energy: -21.598
flat angles C4'-P-C4' energy: -18.624
flat angles P-C4'-P energy: -18.860
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: 4, replica: 9
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -279.069539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.069539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.069539 (E_RNA)
where:
Base-Base interactions energy: -177.030
where: short stacking energy: -77.703
Base-Backbone interact. energy: -0.283
local terms energy: -101.757241
where:
bonds (distance) C4'-P energy: -23.796
bonds (distance) P-C4' energy: -27.083
flat angles C4'-P-C4' energy: -22.670
flat angles P-C4'-P energy: -13.694
tors. eta vs tors. theta energy: -14.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -275.992842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.992842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.992842 (E_RNA)
where:
Base-Base interactions energy: -185.576
where: short stacking energy: -85.277
Base-Backbone interact. energy: -0.168
local terms energy: -90.248383
where:
bonds (distance) C4'-P energy: -14.961
bonds (distance) P-C4' energy: -18.943
flat angles C4'-P-C4' energy: -20.394
flat angles P-C4'-P energy: -16.192
tors. eta vs tors. theta energy: -19.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -267.928558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.928558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.928558 (E_RNA)
where:
Base-Base interactions energy: -174.203
where: short stacking energy: -85.924
Base-Backbone interact. energy: -0.072
local terms energy: -93.653774
where:
bonds (distance) C4'-P energy: -20.468
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -23.109
flat angles P-C4'-P energy: -13.368
tors. eta vs tors. theta energy: -20.637
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: 8
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -261.807792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.807792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.807792 (E_RNA)
where:
Base-Base interactions energy: -175.432
where: short stacking energy: -77.044
Base-Backbone interact. energy: -0.843
local terms energy: -85.532107
where:
bonds (distance) C4'-P energy: -18.766
bonds (distance) P-C4' energy: -16.730
flat angles C4'-P-C4' energy: -22.921
flat angles P-C4'-P energy: -14.071
tors. eta vs tors. theta energy: -13.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -263.445173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.445173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.445173 (E_RNA)
where:
Base-Base interactions energy: -168.596
where: short stacking energy: -79.159
Base-Backbone interact. energy: -0.066
local terms energy: -94.782807
where:
bonds (distance) C4'-P energy: -20.231
bonds (distance) P-C4' energy: -18.088
flat angles C4'-P-C4' energy: -19.428
flat angles P-C4'-P energy: -13.949
tors. eta vs tors. theta energy: -23.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -243.110030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.110030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.110030 (E_RNA)
where:
Base-Base interactions energy: -161.377
where: short stacking energy: -66.984
Base-Backbone interact. energy: -0.238
local terms energy: -81.494630
where:
bonds (distance) C4'-P energy: -11.017
bonds (distance) P-C4' energy: -25.451
flat angles C4'-P-C4' energy: -17.609
flat angles P-C4'-P energy: -14.619
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: 10, replica: 2
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -123.216709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.216709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.216709 (E_RNA)
where:
Base-Base interactions energy: -51.142
where: short stacking energy: -39.524
Base-Backbone interact. energy: 0.951
local terms energy: -73.025854
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -22.612
flat angles C4'-P-C4' energy: -21.999
flat angles P-C4'-P energy: -9.188
tors. eta vs tors. theta energy: -5.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -368.077626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.077626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.077626 (E_RNA)
where:
Base-Base interactions energy: -250.230
where: short stacking energy: -103.259
Base-Backbone interact. energy: -0.996
local terms energy: -116.851331
where:
bonds (distance) C4'-P energy: -19.401
bonds (distance) P-C4' energy: -24.721
flat angles C4'-P-C4' energy: -24.426
flat angles P-C4'-P energy: -13.123
tors. eta vs tors. theta energy: -35.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -356.669238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.669238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.669238 (E_RNA)
where:
Base-Base interactions energy: -246.265
where: short stacking energy: -109.323
Base-Backbone interact. energy: -0.136
local terms energy: -110.268308
where:
bonds (distance) C4'-P energy: -16.187
bonds (distance) P-C4' energy: -23.623
flat angles C4'-P-C4' energy: -23.888
flat angles P-C4'-P energy: -14.149
tors. eta vs tors. theta energy: -32.421
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: 7
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -324.461510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.461510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.461510 (E_RNA)
where:
Base-Base interactions energy: -214.273
where: short stacking energy: -99.743
Base-Backbone interact. energy: 1.588
local terms energy: -111.776203
where:
bonds (distance) C4'-P energy: -22.747
bonds (distance) P-C4' energy: -20.733
flat angles C4'-P-C4' energy: -24.995
flat angles P-C4'-P energy: -18.148
tors. eta vs tors. theta energy: -25.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -282.445757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.445757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.445757 (E_RNA)
where:
Base-Base interactions energy: -186.643
where: short stacking energy: -81.962
Base-Backbone interact. energy: -1.134
local terms energy: -94.668240
where:
bonds (distance) C4'-P energy: -20.360
bonds (distance) P-C4' energy: -21.728
flat angles C4'-P-C4' energy: -18.759
flat angles P-C4'-P energy: -13.409
tors. eta vs tors. theta energy: -20.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -269.496984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.496984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.496984 (E_RNA)
where:
Base-Base interactions energy: -174.960
where: short stacking energy: -79.346
Base-Backbone interact. energy: -1.163
local terms energy: -93.374662
where:
bonds (distance) C4'-P energy: -17.931
bonds (distance) P-C4' energy: -22.784
flat angles C4'-P-C4' energy: -18.546
flat angles P-C4'-P energy: -16.203
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: 6, replica: 4
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -260.113826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.113826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.113826 (E_RNA)
where:
Base-Base interactions energy: -170.704
where: short stacking energy: -84.669
Base-Backbone interact. energy: -0.368
local terms energy: -89.041363
where:
bonds (distance) C4'-P energy: -21.037
bonds (distance) P-C4' energy: -19.443
flat angles C4'-P-C4' energy: -17.539
flat angles P-C4'-P energy: -17.731
tors. eta vs tors. theta energy: -13.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -234.873262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.873262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.873262 (E_RNA)
where:
Base-Base interactions energy: -143.967
where: short stacking energy: -68.822
Base-Backbone interact. energy: -0.336
local terms energy: -90.570723
where:
bonds (distance) C4'-P energy: -20.864
bonds (distance) P-C4' energy: -20.708
flat angles C4'-P-C4' energy: -19.382
flat angles P-C4'-P energy: -16.098
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: 8, replica: 8
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -223.753199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.753199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.753199 (E_RNA)
where:
Base-Base interactions energy: -132.811
where: short stacking energy: -53.367
Base-Backbone interact. energy: -0.739
local terms energy: -90.202619
where:
bonds (distance) C4'-P energy: -22.164
bonds (distance) P-C4' energy: -24.468
flat angles C4'-P-C4' energy: -19.307
flat angles P-C4'-P energy: -13.701
tors. eta vs tors. theta energy: -10.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -237.538035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.538035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.538035 (E_RNA)
where:
Base-Base interactions energy: -149.662
where: short stacking energy: -58.081
Base-Backbone interact. energy: -0.671
local terms energy: -87.204519
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -16.134
flat angles C4'-P-C4' energy: -23.232
flat angles P-C4'-P energy: -13.885
tors. eta vs tors. theta energy: -18.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -124.673562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.673562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.673562 (E_RNA)
where:
Base-Base interactions energy: -47.670
where: short stacking energy: -47.670
Base-Backbone interact. energy: 0.314
local terms energy: -77.318338
where:
bonds (distance) C4'-P energy: -20.671
bonds (distance) P-C4' energy: -21.034
flat angles C4'-P-C4' energy: -17.820
flat angles P-C4'-P energy: -10.643
tors. eta vs tors. theta energy: -7.149
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: 5
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -361.679574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.679574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.679574 (E_RNA)
where:
Base-Base interactions energy: -241.577
where: short stacking energy: -115.173
Base-Backbone interact. energy: -0.298
local terms energy: -119.805025
where:
bonds (distance) C4'-P energy: -25.016
bonds (distance) P-C4' energy: -21.765
flat angles C4'-P-C4' energy: -20.518
flat angles P-C4'-P energy: -17.471
tors. eta vs tors. theta energy: -35.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -333.391126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.391126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.391126 (E_RNA)
where:
Base-Base interactions energy: -221.648
where: short stacking energy: -102.070
Base-Backbone interact. energy: -0.070
local terms energy: -111.673631
where:
bonds (distance) C4'-P energy: -22.835
bonds (distance) P-C4' energy: -23.576
flat angles C4'-P-C4' energy: -22.270
flat angles P-C4'-P energy: -15.578
tors. eta vs tors. theta energy: -27.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -336.356221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.356221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.356221 (E_RNA)
where:
Base-Base interactions energy: -222.930
where: short stacking energy: -101.161
Base-Backbone interact. energy: -0.390
local terms energy: -113.036214
where:
bonds (distance) C4'-P energy: -23.587
bonds (distance) P-C4' energy: -18.268
flat angles C4'-P-C4' energy: -24.139
flat angles P-C4'-P energy: -15.573
tors. eta vs tors. theta energy: -31.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -292.778134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.778134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.778134 (E_RNA)
where:
Base-Base interactions energy: -192.159
where: short stacking energy: -89.822
Base-Backbone interact. energy: -0.274
local terms energy: -100.345770
where:
bonds (distance) C4'-P energy: -19.816
bonds (distance) P-C4' energy: -20.540
flat angles C4'-P-C4' energy: -21.484
flat angles P-C4'-P energy: -13.425
tors. eta vs tors. theta energy: -25.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -266.255767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.255767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.255767 (E_RNA)
where:
Base-Base interactions energy: -167.082
where: short stacking energy: -85.428
Base-Backbone interact. energy: -0.331
local terms energy: -98.842908
where:
bonds (distance) C4'-P energy: -21.586
bonds (distance) P-C4' energy: -20.034
flat angles C4'-P-C4' energy: -17.020
flat angles P-C4'-P energy: -18.266
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: 6, replica: 1
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -228.849037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.849037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.849037 (E_RNA)
where:
Base-Base interactions energy: -141.824
where: short stacking energy: -78.372
Base-Backbone interact. energy: -0.651
local terms energy: -86.374266
where:
bonds (distance) C4'-P energy: -12.717
bonds (distance) P-C4' energy: -20.359
flat angles C4'-P-C4' energy: -19.315
flat angles P-C4'-P energy: -14.198
tors. eta vs tors. theta energy: -19.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -255.199841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.199841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.199841 (E_RNA)
where:
Base-Base interactions energy: -160.055
where: short stacking energy: -76.887
Base-Backbone interact. energy: -0.008
local terms energy: -95.136565
where:
bonds (distance) C4'-P energy: -22.440
bonds (distance) P-C4' energy: -21.064
flat angles C4'-P-C4' energy: -20.827
flat angles P-C4'-P energy: -11.146
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: 8, replica: 10
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -247.026221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.026221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.026221 (E_RNA)
where:
Base-Base interactions energy: -155.869
where: short stacking energy: -74.134
Base-Backbone interact. energy: -0.241
local terms energy: -90.916059
where:
bonds (distance) C4'-P energy: -22.708
bonds (distance) P-C4' energy: -20.685
flat angles C4'-P-C4' energy: -23.984
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -14.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -240.152401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.152401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.152401 (E_RNA)
where:
Base-Base interactions energy: -152.370
where: short stacking energy: -72.387
Base-Backbone interact. energy: -0.189
local terms energy: -87.593694
where:
bonds (distance) C4'-P energy: -18.088
bonds (distance) P-C4' energy: -25.238
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -12.577
tors. eta vs tors. theta energy: -16.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -118.283960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.283960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.283960 (E_RNA)
where:
Base-Base interactions energy: -44.077
where: short stacking energy: -44.077
Base-Backbone interact. energy: -0.087
local terms energy: -74.120513
where:
bonds (distance) C4'-P energy: -23.477
bonds (distance) P-C4' energy: -22.482
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -8.866
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: 1, replica: 5
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -367.664039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.664039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.664039 (E_RNA)
where:
Base-Base interactions energy: -251.904
where: short stacking energy: -108.890
Base-Backbone interact. energy: -0.032
local terms energy: -115.727966
where:
bonds (distance) C4'-P energy: -23.862
bonds (distance) P-C4' energy: -22.274
flat angles C4'-P-C4' energy: -19.692
flat angles P-C4'-P energy: -15.441
tors. eta vs tors. theta energy: -34.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -330.191431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.191431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.191431 (E_RNA)
where:
Base-Base interactions energy: -211.408
where: short stacking energy: -92.552
Base-Backbone interact. energy: -0.082
local terms energy: -118.701146
where:
bonds (distance) C4'-P energy: -26.474
bonds (distance) P-C4' energy: -24.118
flat angles C4'-P-C4' energy: -23.898
flat angles P-C4'-P energy: -20.164
tors. eta vs tors. theta energy: -24.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -347.631712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.631712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.631712 (E_RNA)
where:
Base-Base interactions energy: -235.369
where: short stacking energy: -99.846
Base-Backbone interact. energy: -0.039
local terms energy: -112.224661
where:
bonds (distance) C4'-P energy: -21.157
bonds (distance) P-C4' energy: -25.265
flat angles C4'-P-C4' energy: -21.964
flat angles P-C4'-P energy: -13.960
tors. eta vs tors. theta energy: -29.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -283.910666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.910666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.910666 (E_RNA)
where:
Base-Base interactions energy: -182.144
where: short stacking energy: -82.162
Base-Backbone interact. energy: -1.107
local terms energy: -100.659898
where:
bonds (distance) C4'-P energy: -20.872
bonds (distance) P-C4' energy: -19.883
flat angles C4'-P-C4' energy: -24.377
flat angles P-C4'-P energy: -14.053
tors. eta vs tors. theta energy: -21.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -264.820630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.820630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.820630 (E_RNA)
where:
Base-Base interactions energy: -166.919
where: short stacking energy: -77.123
Base-Backbone interact. energy: -1.258
local terms energy: -96.642956
where:
bonds (distance) C4'-P energy: -18.758
bonds (distance) P-C4' energy: -20.385
flat angles C4'-P-C4' energy: -22.988
flat angles P-C4'-P energy: -18.710
tors. eta vs tors. theta energy: -15.802
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: 1
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -252.288751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.288751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.288751 (E_RNA)
where:
Base-Base interactions energy: -165.700
where: short stacking energy: -78.560
Base-Backbone interact. energy: -0.220
local terms energy: -86.368484
where:
bonds (distance) C4'-P energy: -20.522
bonds (distance) P-C4' energy: -18.678
flat angles C4'-P-C4' energy: -23.756
flat angles P-C4'-P energy: -7.748
tors. eta vs tors. theta energy: -15.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -252.735618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.735618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.735618 (E_RNA)
where:
Base-Base interactions energy: -164.825
where: short stacking energy: -78.487
Base-Backbone interact. energy: -0.208
local terms energy: -87.702744
where:
bonds (distance) C4'-P energy: -18.930
bonds (distance) P-C4' energy: -16.649
flat angles C4'-P-C4' energy: -20.433
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: -23.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -252.920529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.920529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.920529 (E_RNA)
where:
Base-Base interactions energy: -165.083
where: short stacking energy: -69.933
Base-Backbone interact. energy: -0.029
local terms energy: -87.807842
where:
bonds (distance) C4'-P energy: -20.441
bonds (distance) P-C4' energy: -18.927
flat angles C4'-P-C4' energy: -19.954
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -18.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -123.971514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.971514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.971514 (E_RNA)
where:
Base-Base interactions energy: -52.964
where: short stacking energy: -37.303
Base-Backbone interact. energy: -0.417
local terms energy: -70.591435
where:
bonds (distance) C4'-P energy: -19.332
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -24.158
flat angles P-C4'-P energy: -4.505
tors. eta vs tors. theta energy: -7.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -219.179872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.179872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.179872 (E_RNA)
where:
Base-Base interactions energy: -140.165
where: short stacking energy: -60.385
Base-Backbone interact. energy: -0.495
local terms energy: -78.519739
where:
bonds (distance) C4'-P energy: -19.377
bonds (distance) P-C4' energy: -17.865
flat angles C4'-P-C4' energy: -19.022
flat angles P-C4'-P energy: -15.171
tors. eta vs tors. theta energy: -7.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -367.177212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.177212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.177212 (E_RNA)
where:
Base-Base interactions energy: -242.452
where: short stacking energy: -106.186
Base-Backbone interact. energy: -0.182
local terms energy: -124.543584
where:
bonds (distance) C4'-P energy: -22.103
bonds (distance) P-C4' energy: -24.155
flat angles C4'-P-C4' energy: -26.338
flat angles P-C4'-P energy: -16.492
tors. eta vs tors. theta energy: -35.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -326.839085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.839085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.839085 (E_RNA)
where:
Base-Base interactions energy: -213.097
where: short stacking energy: -92.622
Base-Backbone interact. energy: -0.942
local terms energy: -112.799793
where:
bonds (distance) C4'-P energy: -22.608
bonds (distance) P-C4' energy: -25.387
flat angles C4'-P-C4' energy: -26.429
flat angles P-C4'-P energy: -10.710
tors. eta vs tors. theta energy: -27.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -337.807553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.807553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.807553 (E_RNA)
where:
Base-Base interactions energy: -231.268
where: short stacking energy: -97.640
Base-Backbone interact. energy: -0.100
local terms energy: -106.440020
where:
bonds (distance) C4'-P energy: -19.601
bonds (distance) P-C4' energy: -22.037
flat angles C4'-P-C4' energy: -25.349
flat angles P-C4'-P energy: -14.842
tors. eta vs tors. theta energy: -24.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -294.471298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.471298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.471298 (E_RNA)
where:
Base-Base interactions energy: -197.672
where: short stacking energy: -78.683
Base-Backbone interact. energy: -0.131
local terms energy: -96.668529
where:
bonds (distance) C4'-P energy: -22.537
bonds (distance) P-C4' energy: -17.366
flat angles C4'-P-C4' energy: -22.447
flat angles P-C4'-P energy: -14.918
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: 5, replica: 9
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -279.050812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.050812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.050812 (E_RNA)
where:
Base-Base interactions energy: -178.569
where: short stacking energy: -79.100
Base-Backbone interact. energy: 0.091
local terms energy: -100.572685
where:
bonds (distance) C4'-P energy: -24.751
bonds (distance) P-C4' energy: -19.501
flat angles C4'-P-C4' energy: -17.859
flat angles P-C4'-P energy: -15.043
tors. eta vs tors. theta energy: -23.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -262.809661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.809661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.809661 (E_RNA)
where:
Base-Base interactions energy: -163.537
where: short stacking energy: -78.406
Base-Backbone interact. energy: -0.120
local terms energy: -99.152400
where:
bonds (distance) C4'-P energy: -20.640
bonds (distance) P-C4' energy: -22.365
flat angles C4'-P-C4' energy: -21.310
flat angles P-C4'-P energy: -15.146
tors. eta vs tors. theta energy: -19.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -242.703590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.703590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.703590 (E_RNA)
where:
Base-Base interactions energy: -156.065
where: short stacking energy: -61.075
Base-Backbone interact. energy: 0.146
local terms energy: -86.784223
where:
bonds (distance) C4'-P energy: -20.159
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -18.284
flat angles P-C4'-P energy: -18.068
tors. eta vs tors. theta energy: -16.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -254.285926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.285926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.285926 (E_RNA)
where:
Base-Base interactions energy: -164.863
where: short stacking energy: -81.580
Base-Backbone interact. energy: 1.298
local terms energy: -90.720629
where:
bonds (distance) C4'-P energy: -17.696
bonds (distance) P-C4' energy: -19.839
flat angles C4'-P-C4' energy: -20.075
flat angles P-C4'-P energy: -16.409
tors. eta vs tors. theta energy: -16.701
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: 2
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -139.584830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.584830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.584830 (E_RNA)
where:
Base-Base interactions energy: -59.747
where: short stacking energy: -36.160
Base-Backbone interact. energy: -0.394
local terms energy: -79.443817
where:
bonds (distance) C4'-P energy: -17.118
bonds (distance) P-C4' energy: -23.086
flat angles C4'-P-C4' energy: -17.505
flat angles P-C4'-P energy: -15.620
tors. eta vs tors. theta energy: -6.116
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: 473
Temperature: 1.350000
Total energy: -213.110858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.110858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.110858 (E_RNA)
where:
Base-Base interactions energy: -132.371
where: short stacking energy: -61.611
Base-Backbone interact. energy: -0.038
local terms energy: -80.701956
where:
bonds (distance) C4'-P energy: -9.459
bonds (distance) P-C4' energy: -22.657
flat angles C4'-P-C4' energy: -20.938
flat angles P-C4'-P energy: -7.667
tors. eta vs tors. theta energy: -19.981
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: 474
Temperature: 0.900000
Total energy: -370.743805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.743805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.743805 (E_RNA)
where:
Base-Base interactions energy: -248.500
where: short stacking energy: -108.126
Base-Backbone interact. energy: -0.414
local terms energy: -121.829841
where:
bonds (distance) C4'-P energy: -19.689
bonds (distance) P-C4' energy: -20.983
flat angles C4'-P-C4' energy: -26.361
flat angles P-C4'-P energy: -20.194
tors. eta vs tors. theta energy: -34.603
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: 2, replica: 7
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -330.497120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.497120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.497120 (E_RNA)
where:
Base-Base interactions energy: -228.030
where: short stacking energy: -92.214
Base-Backbone interact. energy: -0.175
local terms energy: -102.291697
where:
bonds (distance) C4'-P energy: -16.612
bonds (distance) P-C4' energy: -20.571
flat angles C4'-P-C4' energy: -25.287
flat angles P-C4'-P energy: -13.385
tors. eta vs tors. theta energy: -26.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -338.104534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.104534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.104534 (E_RNA)
where:
Base-Base interactions energy: -226.859
where: short stacking energy: -88.599
Base-Backbone interact. energy: -0.323
local terms energy: -110.921839
where:
bonds (distance) C4'-P energy: -23.414
bonds (distance) P-C4' energy: -23.862
flat angles C4'-P-C4' energy: -24.214
flat angles P-C4'-P energy: -12.826
tors. eta vs tors. theta energy: -26.606
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: 6
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -299.141295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.141295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.141295 (E_RNA)
where:
Base-Base interactions energy: -187.989
where: short stacking energy: -88.071
Base-Backbone interact. energy: -0.940
local terms energy: -110.212932
where:
bonds (distance) C4'-P energy: -21.613
bonds (distance) P-C4' energy: -24.241
flat angles C4'-P-C4' energy: -24.948
flat angles P-C4'-P energy: -16.029
tors. eta vs tors. theta energy: -23.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -268.568278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.568278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.568278 (E_RNA)
where:
Base-Base interactions energy: -166.096
where: short stacking energy: -82.034
Base-Backbone interact. energy: -0.951
local terms energy: -101.520846
where:
bonds (distance) C4'-P energy: -17.940
bonds (distance) P-C4' energy: -25.182
flat angles C4'-P-C4' energy: -23.344
flat angles P-C4'-P energy: -11.078
tors. eta vs tors. theta energy: -23.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -258.708217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.708217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.708217 (E_RNA)
where:
Base-Base interactions energy: -164.939
where: short stacking energy: -75.162
Base-Backbone interact. energy: -0.026
local terms energy: -93.743255
where:
bonds (distance) C4'-P energy: -18.120
bonds (distance) P-C4' energy: -22.520
flat angles C4'-P-C4' energy: -21.712
flat angles P-C4'-P energy: -16.535
tors. eta vs tors. theta energy: -14.856
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: 4
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -247.225579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.225579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.225579 (E_RNA)
where:
Base-Base interactions energy: -142.558
where: short stacking energy: -73.296
Base-Backbone interact. energy: -0.697
local terms energy: -103.969951
where:
bonds (distance) C4'-P energy: -23.508
bonds (distance) P-C4' energy: -22.749
flat angles C4'-P-C4' energy: -22.070
flat angles P-C4'-P energy: -18.619
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: 8, replica: 10
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -241.917346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.917346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.917346 (E_RNA)
where:
Base-Base interactions energy: -156.813
where: short stacking energy: -66.658
Base-Backbone interact. energy: 0.749
local terms energy: -85.853773
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -23.335
flat angles C4'-P-C4' energy: -21.025
flat angles P-C4'-P energy: -16.470
tors. eta vs tors. theta energy: -12.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -222.908083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.908083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.908083 (E_RNA)
where:
Base-Base interactions energy: -130.533
where: short stacking energy: -77.167
Base-Backbone interact. energy: -0.012
local terms energy: -92.362309
where:
bonds (distance) C4'-P energy: -24.360
bonds (distance) P-C4' energy: -19.959
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -13.519
tors. eta vs tors. theta energy: -19.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -104.539001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.539001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.539001 (E_RNA)
where:
Base-Base interactions energy: -41.740
where: short stacking energy: -33.302
Base-Backbone interact. energy: -0.241
local terms energy: -62.558503
where:
bonds (distance) C4'-P energy: -18.579
bonds (distance) P-C4' energy: -25.448
flat angles C4'-P-C4' energy: -18.229
flat angles P-C4'-P energy: -3.272
tors. eta vs tors. theta energy: 2.969
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: 1, replica: 5
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -370.844409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.844409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.844409 (E_RNA)
where:
Base-Base interactions energy: -245.564
where: short stacking energy: -102.902
Base-Backbone interact. energy: 0.091
local terms energy: -125.371692
where:
bonds (distance) C4'-P energy: -21.320
bonds (distance) P-C4' energy: -22.831
flat angles C4'-P-C4' energy: -26.957
flat angles P-C4'-P energy: -18.691
tors. eta vs tors. theta energy: -35.574
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: 3
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -348.990063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.990063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.990063 (E_RNA)
where:
Base-Base interactions energy: -242.047
where: short stacking energy: -100.107
Base-Backbone interact. energy: -1.079
local terms energy: -105.864239
where:
bonds (distance) C4'-P energy: -20.603
bonds (distance) P-C4' energy: -20.530
flat angles C4'-P-C4' energy: -23.825
flat angles P-C4'-P energy: -15.695
tors. eta vs tors. theta energy: -25.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -319.608716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.608716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.608716 (E_RNA)
where:
Base-Base interactions energy: -209.038
where: short stacking energy: -98.337
Base-Backbone interact. energy: -0.085
local terms energy: -110.485649
where:
bonds (distance) C4'-P energy: -17.255
bonds (distance) P-C4' energy: -23.781
flat angles C4'-P-C4' energy: -19.713
flat angles P-C4'-P energy: -22.273
tors. eta vs tors. theta energy: -27.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -292.816993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.816993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.816993 (E_RNA)
where:
Base-Base interactions energy: -208.028
where: short stacking energy: -80.295
Base-Backbone interact. energy: -0.336
local terms energy: -84.453523
where:
bonds (distance) C4'-P energy: -14.808
bonds (distance) P-C4' energy: -21.350
flat angles C4'-P-C4' energy: -17.486
flat angles P-C4'-P energy: -12.319
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: 6
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -288.095537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.095537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.095537 (E_RNA)
where:
Base-Base interactions energy: -194.306
where: short stacking energy: -88.247
Base-Backbone interact. energy: -0.928
local terms energy: -92.862037
where:
bonds (distance) C4'-P energy: -19.265
bonds (distance) P-C4' energy: -18.431
flat angles C4'-P-C4' energy: -15.728
flat angles P-C4'-P energy: -14.165
tors. eta vs tors. theta energy: -25.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -271.656050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.656050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.656050 (E_RNA)
where:
Base-Base interactions energy: -169.369
where: short stacking energy: -83.840
Base-Backbone interact. energy: -0.047
local terms energy: -102.239916
where:
bonds (distance) C4'-P energy: -22.496
bonds (distance) P-C4' energy: -21.721
flat angles C4'-P-C4' energy: -22.820
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: -24.983
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: 475
Temperature: 1.200000
Total energy: -219.852780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.852780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.852780 (E_RNA)
where:
Base-Base interactions energy: -124.296
where: short stacking energy: -60.679
Base-Backbone interact. energy: -0.851
local terms energy: -94.705356
where:
bonds (distance) C4'-P energy: -21.121
bonds (distance) P-C4' energy: -26.784
flat angles C4'-P-C4' energy: -18.838
flat angles P-C4'-P energy: -14.084
tors. eta vs tors. theta energy: -13.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -247.674355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.674355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.674355 (E_RNA)
where:
Base-Base interactions energy: -149.684
where: short stacking energy: -58.014
Base-Backbone interact. energy: -1.018
local terms energy: -96.972108
where:
bonds (distance) C4'-P energy: -24.935
bonds (distance) P-C4' energy: -23.599
flat angles C4'-P-C4' energy: -24.255
flat angles P-C4'-P energy: -12.162
tors. eta vs tors. theta energy: -12.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -196.333045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.333045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.333045 (E_RNA)
where:
Base-Base interactions energy: -127.582
where: short stacking energy: -49.840
Base-Backbone interact. energy: -0.168
local terms energy: -68.582631
where:
bonds (distance) C4'-P energy: -17.450
bonds (distance) P-C4' energy: -21.924
flat angles C4'-P-C4' energy: -12.193
flat angles P-C4'-P energy: -7.946
tors. eta vs tors. theta energy: -9.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -101.560816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.560816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.560816 (E_RNA)
where:
Base-Base interactions energy: -38.225
where: short stacking energy: -23.260
Base-Backbone interact. energy: -0.043
local terms energy: -63.292658
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -22.579
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -16.119
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: 1, replica: 3
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -358.769180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.769180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.769180 (E_RNA)
where:
Base-Base interactions energy: -244.357
where: short stacking energy: -103.883
Base-Backbone interact. energy: -0.364
local terms energy: -114.047587
where:
bonds (distance) C4'-P energy: -20.513
bonds (distance) P-C4' energy: -22.918
flat angles C4'-P-C4' energy: -22.716
flat angles P-C4'-P energy: -18.589
tors. eta vs tors. theta energy: -29.311
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: 5
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -365.156752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.156752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.156752 (E_RNA)
where:
Base-Base interactions energy: -247.037
where: short stacking energy: -106.574
Base-Backbone interact. energy: -0.610
local terms energy: -117.509369
where:
bonds (distance) C4'-P energy: -16.799
bonds (distance) P-C4' energy: -23.797
flat angles C4'-P-C4' energy: -23.368
flat angles P-C4'-P energy: -18.612
tors. eta vs tors. theta energy: -34.933
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: 1
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -299.549107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.549107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.549107 (E_RNA)
where:
Base-Base interactions energy: -207.519
where: short stacking energy: -81.148
Base-Backbone interact. energy: -0.134
local terms energy: -91.896416
where:
bonds (distance) C4'-P energy: -17.728
bonds (distance) P-C4' energy: -22.190
flat angles C4'-P-C4' energy: -19.939
flat angles P-C4'-P energy: -11.143
tors. eta vs tors. theta energy: -20.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -315.495155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.495155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.495155 (E_RNA)
where:
Base-Base interactions energy: -210.830
where: short stacking energy: -83.983
Base-Backbone interact. energy: -1.465
local terms energy: -103.200544
where:
bonds (distance) C4'-P energy: -27.282
bonds (distance) P-C4' energy: -16.931
flat angles C4'-P-C4' energy: -20.115
flat angles P-C4'-P energy: -14.027
tors. eta vs tors. theta energy: -24.846
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: 5, replica: 9
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -284.331963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.331963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.331963 (E_RNA)
where:
Base-Base interactions energy: -181.909
where: short stacking energy: -99.439
Base-Backbone interact. energy: -0.236
local terms energy: -102.187577
where:
bonds (distance) C4'-P energy: -21.134
bonds (distance) P-C4' energy: -17.878
flat angles C4'-P-C4' energy: -24.605
flat angles P-C4'-P energy: -11.660
tors. eta vs tors. theta energy: -26.910
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: 6
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -264.566206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.566206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.566206 (E_RNA)
where:
Base-Base interactions energy: -172.522
where: short stacking energy: -81.496
Base-Backbone interact. energy: -0.552
local terms energy: -91.492454
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -24.011
flat angles C4'-P-C4' energy: -19.438
flat angles P-C4'-P energy: -15.354
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: 7, replica: 8
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -258.299909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.299909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.299909 (E_RNA)
where:
Base-Base interactions energy: -157.214
where: short stacking energy: -73.992
Base-Backbone interact. energy: -0.356
local terms energy: -100.729722
where:
bonds (distance) C4'-P energy: -26.138
bonds (distance) P-C4' energy: -17.354
flat angles C4'-P-C4' energy: -16.040
flat angles P-C4'-P energy: -22.313
tors. eta vs tors. theta energy: -18.884
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: 4
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -206.341743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.341743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.341743 (E_RNA)
where:
Base-Base interactions energy: -129.289
where: short stacking energy: -69.412
Base-Backbone interact. energy: -0.328
local terms energy: -76.725079
where:
bonds (distance) C4'-P energy: -16.665
bonds (distance) P-C4' energy: -21.648
flat angles C4'-P-C4' energy: -17.649
flat angles P-C4'-P energy: -8.637
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: 9, replica: 10
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -222.553002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.553002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.553002 (E_RNA)
where:
Base-Base interactions energy: -144.931
where: short stacking energy: -67.099
Base-Backbone interact. energy: -0.088
local terms energy: -77.533596
where:
bonds (distance) C4'-P energy: -22.628
bonds (distance) P-C4' energy: -9.301
flat angles C4'-P-C4' energy: -18.212
flat angles P-C4'-P energy: -16.545
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: 10, replica: 2
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -108.090171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.090171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.090171 (E_RNA)
where:
Base-Base interactions energy: -36.410
where: short stacking energy: -26.036
Base-Backbone interact. energy: 0.683
local terms energy: -72.363403
where:
bonds (distance) C4'-P energy: -21.954
bonds (distance) P-C4' energy: -16.508
flat angles C4'-P-C4' energy: -20.507
flat angles P-C4'-P energy: -9.069
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: 1, replica: 3
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -353.473272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.473272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.473272 (E_RNA)
where:
Base-Base interactions energy: -241.230
where: short stacking energy: -98.304
Base-Backbone interact. energy: -0.358
local terms energy: -111.884954
where:
bonds (distance) C4'-P energy: -18.834
bonds (distance) P-C4' energy: -23.020
flat angles C4'-P-C4' energy: -19.168
flat angles P-C4'-P energy: -18.761
tors. eta vs tors. theta energy: -32.102
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: 5
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -354.856942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.856942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.856942 (E_RNA)
where:
Base-Base interactions energy: -236.362
where: short stacking energy: -97.895
Base-Backbone interact. energy: 0.436
local terms energy: -118.930425
where:
bonds (distance) C4'-P energy: -18.276
bonds (distance) P-C4' energy: -25.727
flat angles C4'-P-C4' energy: -24.261
flat angles P-C4'-P energy: -18.328
tors. eta vs tors. theta energy: -32.338
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: 3, replica: 1
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -286.732839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.732839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.732839 (E_RNA)
where:
Base-Base interactions energy: -176.518
where: short stacking energy: -92.671
Base-Backbone interact. energy: -0.105
local terms energy: -110.110349
where:
bonds (distance) C4'-P energy: -22.509
bonds (distance) P-C4' energy: -20.142
flat angles C4'-P-C4' energy: -25.508
flat angles P-C4'-P energy: -18.199
tors. eta vs tors. theta energy: -23.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -322.271738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.271738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.271738 (E_RNA)
where:
Base-Base interactions energy: -218.899
where: short stacking energy: -85.697
Base-Backbone interact. energy: -0.674
local terms energy: -102.698821
where:
bonds (distance) C4'-P energy: -20.259
bonds (distance) P-C4' energy: -18.290
flat angles C4'-P-C4' energy: -25.134
flat angles P-C4'-P energy: -13.258
tors. eta vs tors. theta energy: -25.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -281.489119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.489119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.489119 (E_RNA)
where:
Base-Base interactions energy: -180.998
where: short stacking energy: -86.770
Base-Backbone interact. energy: -0.221
local terms energy: -100.270477
where:
bonds (distance) C4'-P energy: -21.756
bonds (distance) P-C4' energy: -19.588
flat angles C4'-P-C4' energy: -22.260
flat angles P-C4'-P energy: -16.654
tors. eta vs tors. theta energy: -20.013
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: 6
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -284.364047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.364047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.364047 (E_RNA)
where:
Base-Base interactions energy: -182.694
where: short stacking energy: -87.472
Base-Backbone interact. energy: -0.089
local terms energy: -101.580293
where:
bonds (distance) C4'-P energy: -20.526
bonds (distance) P-C4' energy: -23.492
flat angles C4'-P-C4' energy: -20.920
flat angles P-C4'-P energy: -11.210
tors. eta vs tors. theta energy: -25.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -262.373687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.373687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.373687 (E_RNA)
where:
Base-Base interactions energy: -171.492
where: short stacking energy: -87.680
Base-Backbone interact. energy: -0.044
local terms energy: -90.838392
where:
bonds (distance) C4'-P energy: -19.033
bonds (distance) P-C4' energy: -15.602
flat angles C4'-P-C4' energy: -17.714
flat angles P-C4'-P energy: -16.018
tors. eta vs tors. theta energy: -22.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -234.322420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.322420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.322420 (E_RNA)
where:
Base-Base interactions energy: -156.890
where: short stacking energy: -68.295
Base-Backbone interact. energy: -1.148
local terms energy: -76.285020
where:
bonds (distance) C4'-P energy: -15.343
bonds (distance) P-C4' energy: -15.831
flat angles C4'-P-C4' energy: -17.465
flat angles P-C4'-P energy: -15.814
tors. eta vs tors. theta energy: -11.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -200.879101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.879101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.879101 (E_RNA)
where:
Base-Base interactions energy: -118.387
where: short stacking energy: -63.718
Base-Backbone interact. energy: -0.500
local terms energy: -81.992398
where:
bonds (distance) C4'-P energy: -25.293
bonds (distance) P-C4' energy: -19.776
flat angles C4'-P-C4' energy: -18.170
flat angles P-C4'-P energy: -12.049
tors. eta vs tors. theta energy: -6.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -122.996163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.996163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.996163 (E_RNA)
where:
Base-Base interactions energy: -50.566
where: short stacking energy: -43.444
Base-Backbone interact. energy: 0.595
local terms energy: -73.024293
where:
bonds (distance) C4'-P energy: -18.812
bonds (distance) P-C4' energy: -23.814
flat angles C4'-P-C4' energy: -12.608
flat angles P-C4'-P energy: -16.436
tors. eta vs tors. theta energy: -1.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -371.899287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.899287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.899287 (E_RNA)
where:
Base-Base interactions energy: -249.596
where: short stacking energy: -111.589
Base-Backbone interact. energy: 0.510
local terms energy: -122.813150
where:
bonds (distance) C4'-P energy: -21.042
bonds (distance) P-C4' energy: -23.390
flat angles C4'-P-C4' energy: -25.396
flat angles P-C4'-P energy: -18.374
tors. eta vs tors. theta energy: -34.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -347.164210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.164210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.164210 (E_RNA)
where:
Base-Base interactions energy: -236.297
where: short stacking energy: -100.179
Base-Backbone interact. energy: -0.453
local terms energy: -110.414548
where:
bonds (distance) C4'-P energy: -21.286
bonds (distance) P-C4' energy: -19.945
flat angles C4'-P-C4' energy: -23.223
flat angles P-C4'-P energy: -14.695
tors. eta vs tors. theta energy: -31.266
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: 7
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -316.586573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.586573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.586573 (E_RNA)
where:
Base-Base interactions energy: -212.037
where: short stacking energy: -97.736
Base-Backbone interact. energy: -0.623
local terms energy: -103.926744
where:
bonds (distance) C4'-P energy: -20.653
bonds (distance) P-C4' energy: -19.990
flat angles C4'-P-C4' energy: -24.713
flat angles P-C4'-P energy: -12.998
tors. eta vs tors. theta energy: -25.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -281.523292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.523292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.523292 (E_RNA)
where:
Base-Base interactions energy: -174.799
where: short stacking energy: -89.812
Base-Backbone interact. energy: -0.274
local terms energy: -106.450244
where:
bonds (distance) C4'-P energy: -23.123
bonds (distance) P-C4' energy: -20.003
flat angles C4'-P-C4' energy: -22.704
flat angles P-C4'-P energy: -14.966
tors. eta vs tors. theta energy: -25.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -273.814892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.814892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.814892 (E_RNA)
where:
Base-Base interactions energy: -171.561
where: short stacking energy: -81.255
Base-Backbone interact. energy: -0.950
local terms energy: -101.303441
where:
bonds (distance) C4'-P energy: -24.603
bonds (distance) P-C4' energy: -18.929
flat angles C4'-P-C4' energy: -24.974
flat angles P-C4'-P energy: -12.254
tors. eta vs tors. theta energy: -20.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -267.437281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.437281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.437281 (E_RNA)
where:
Base-Base interactions energy: -171.718
where: short stacking energy: -78.734
Base-Backbone interact. energy: -0.195
local terms energy: -95.524339
where:
bonds (distance) C4'-P energy: -18.874
bonds (distance) P-C4' energy: -17.397
flat angles C4'-P-C4' energy: -24.795
flat angles P-C4'-P energy: -15.825
tors. eta vs tors. theta energy: -18.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -264.444702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.444702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.444702 (E_RNA)
where:
Base-Base interactions energy: -169.272
where: short stacking energy: -75.877
Base-Backbone interact. energy: -0.369
local terms energy: -94.803978
where:
bonds (distance) C4'-P energy: -20.548
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -18.912
flat angles P-C4'-P energy: -17.385
tors. eta vs tors. theta energy: -22.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -235.222516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.222516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.222516 (E_RNA)
where:
Base-Base interactions energy: -152.805
where: short stacking energy: -81.178
Base-Backbone interact. energy: -0.051
local terms energy: -82.366794
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -19.855
flat angles C4'-P-C4' energy: -12.846
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -21.955
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: 478
Temperature: 1.300000
Total energy: -188.403216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.403216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.403216 (E_RNA)
where:
Base-Base interactions energy: -110.149
where: short stacking energy: -41.155
Base-Backbone interact. energy: -0.165
local terms energy: -78.089650
where:
bonds (distance) C4'-P energy: -18.296
bonds (distance) P-C4' energy: -23.341
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -14.340
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: 10, replica: 2
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -99.413527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.413527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.413527 (E_RNA)
where:
Base-Base interactions energy: -25.535
where: short stacking energy: -25.535
Base-Backbone interact. energy: -0.095
local terms energy: -73.784057
where:
bonds (distance) C4'-P energy: -18.099
bonds (distance) P-C4' energy: -23.369
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -9.811
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: 1, replica: 5
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -375.460651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.460651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.460651 (E_RNA)
where:
Base-Base interactions energy: -247.420
where: short stacking energy: -111.583
Base-Backbone interact. energy: -0.021
local terms energy: -128.020365
where:
bonds (distance) C4'-P energy: -23.237
bonds (distance) P-C4' energy: -27.266
flat angles C4'-P-C4' energy: -26.199
flat angles P-C4'-P energy: -17.650
tors. eta vs tors. theta energy: -33.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -328.583553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.583553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.583553 (E_RNA)
where:
Base-Base interactions energy: -221.663
where: short stacking energy: -102.905
Base-Backbone interact. energy: -0.587
local terms energy: -106.333462
where:
bonds (distance) C4'-P energy: -21.249
bonds (distance) P-C4' energy: -18.711
flat angles C4'-P-C4' energy: -24.300
flat angles P-C4'-P energy: -11.413
tors. eta vs tors. theta energy: -30.660
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: 3
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -332.323720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.323720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.323720 (E_RNA)
where:
Base-Base interactions energy: -233.778
where: short stacking energy: -97.403
Base-Backbone interact. energy: -0.241
local terms energy: -98.304697
where:
bonds (distance) C4'-P energy: -15.293
bonds (distance) P-C4' energy: -19.788
flat angles C4'-P-C4' energy: -21.288
flat angles P-C4'-P energy: -14.071
tors. eta vs tors. theta energy: -27.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -278.176613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.176613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.176613 (E_RNA)
where:
Base-Base interactions energy: -189.793
where: short stacking energy: -85.626
Base-Backbone interact. energy: -0.135
local terms energy: -88.248615
where:
bonds (distance) C4'-P energy: -19.377
bonds (distance) P-C4' energy: -20.526
flat angles C4'-P-C4' energy: -18.049
flat angles P-C4'-P energy: -12.897
tors. eta vs tors. theta energy: -17.399
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: 1
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -299.109086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.109086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.109086 (E_RNA)
where:
Base-Base interactions energy: -195.145
where: short stacking energy: -89.925
Base-Backbone interact. energy: 1.282
local terms energy: -105.246377
where:
bonds (distance) C4'-P energy: -20.406
bonds (distance) P-C4' energy: -20.488
flat angles C4'-P-C4' energy: -22.819
flat angles P-C4'-P energy: -18.094
tors. eta vs tors. theta energy: -23.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -261.764634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.764634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.764634 (E_RNA)
where:
Base-Base interactions energy: -164.258
where: short stacking energy: -79.094
Base-Backbone interact. energy: -0.205
local terms energy: -97.301562
where:
bonds (distance) C4'-P energy: -19.759
bonds (distance) P-C4' energy: -25.332
flat angles C4'-P-C4' energy: -20.148
flat angles P-C4'-P energy: -10.742
tors. eta vs tors. theta energy: -21.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -257.701968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.701968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.701968 (E_RNA)
where:
Base-Base interactions energy: -162.493
where: short stacking energy: -74.943
Base-Backbone interact. energy: -0.535
local terms energy: -94.674687
where:
bonds (distance) C4'-P energy: -21.887
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -16.292
flat angles P-C4'-P energy: -17.203
tors. eta vs tors. theta energy: -24.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -239.581580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.581580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.581580 (E_RNA)
where:
Base-Base interactions energy: -151.597
where: short stacking energy: -64.520
Base-Backbone interact. energy: 0.880
local terms energy: -88.864304
where:
bonds (distance) C4'-P energy: -19.721
bonds (distance) P-C4' energy: -21.258
flat angles C4'-P-C4' energy: -19.872
flat angles P-C4'-P energy: -11.922
tors. eta vs tors. theta energy: -16.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -186.741560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.741560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.741560 (E_RNA)
where:
Base-Base interactions energy: -111.540
where: short stacking energy: -60.608
Base-Backbone interact. energy: 0.738
local terms energy: -75.939653
where:
bonds (distance) C4'-P energy: -18.413
bonds (distance) P-C4' energy: -19.329
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -14.224
tors. eta vs tors. theta energy: -9.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -126.911985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.911985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.911985 (E_RNA)
where:
Base-Base interactions energy: -53.608
where: short stacking energy: -29.185
Base-Backbone interact. energy: -0.396
local terms energy: -72.907273
where:
bonds (distance) C4'-P energy: -26.279
bonds (distance) P-C4' energy: -19.593
flat angles C4'-P-C4' energy: -13.822
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -1.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -380.695230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.695230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.695230 (E_RNA)
where:
Base-Base interactions energy: -262.172
where: short stacking energy: -119.427
Base-Backbone interact. energy: 0.367
local terms energy: -118.889875
where:
bonds (distance) C4'-P energy: -20.231
bonds (distance) P-C4' energy: -24.359
flat angles C4'-P-C4' energy: -26.928
flat angles P-C4'-P energy: -15.834
tors. eta vs tors. theta energy: -31.537
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: 7
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -332.242092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.242092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.242092 (E_RNA)
where:
Base-Base interactions energy: -230.806
where: short stacking energy: -94.543
Base-Backbone interact. energy: -0.349
local terms energy: -101.086757
where:
bonds (distance) C4'-P energy: -21.410
bonds (distance) P-C4' energy: -19.087
flat angles C4'-P-C4' energy: -19.644
flat angles P-C4'-P energy: -16.433
tors. eta vs tors. theta energy: -24.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -305.212368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.212368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.212368 (E_RNA)
where:
Base-Base interactions energy: -200.309
where: short stacking energy: -82.675
Base-Backbone interact. energy: -0.494
local terms energy: -104.409396
where:
bonds (distance) C4'-P energy: -22.569
bonds (distance) P-C4' energy: -25.434
flat angles C4'-P-C4' energy: -20.335
flat angles P-C4'-P energy: -17.150
tors. eta vs tors. theta energy: -18.922
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: 9
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -284.464013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.464013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.464013 (E_RNA)
where:
Base-Base interactions energy: -185.635
where: short stacking energy: -82.988
Base-Backbone interact. energy: -0.071
local terms energy: -98.757620
where:
bonds (distance) C4'-P energy: -25.327
bonds (distance) P-C4' energy: -21.204
flat angles C4'-P-C4' energy: -20.422
flat angles P-C4'-P energy: -12.388
tors. eta vs tors. theta energy: -19.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -287.632795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.632795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.632795 (E_RNA)
where:
Base-Base interactions energy: -187.354
where: short stacking energy: -83.569
Base-Backbone interact. energy: -0.321
local terms energy: -99.957146
where:
bonds (distance) C4'-P energy: -18.233
bonds (distance) P-C4' energy: -26.277
flat angles C4'-P-C4' energy: -22.720
flat angles P-C4'-P energy: -11.591
tors. eta vs tors. theta energy: -21.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -266.148727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.148727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.148727 (E_RNA)
where:
Base-Base interactions energy: -165.246
where: short stacking energy: -77.447
Base-Backbone interact. energy: -0.105
local terms energy: -100.798293
where:
bonds (distance) C4'-P energy: -24.674
bonds (distance) P-C4' energy: -20.933
flat angles C4'-P-C4' energy: -17.023
flat angles P-C4'-P energy: -14.220
tors. eta vs tors. theta energy: -23.948
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: 4
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -264.260973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.260973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.260973 (E_RNA)
where:
Base-Base interactions energy: -173.742
where: short stacking energy: -77.539
Base-Backbone interact. energy: -0.216
local terms energy: -90.302247
where:
bonds (distance) C4'-P energy: -19.872
bonds (distance) P-C4' energy: -25.955
flat angles C4'-P-C4' energy: -10.789
flat angles P-C4'-P energy: -11.839
tors. eta vs tors. theta energy: -21.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -202.000848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.000848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.000848 (E_RNA)
where:
Base-Base interactions energy: -131.302
where: short stacking energy: -57.457
Base-Backbone interact. energy: -0.096
local terms energy: -70.602874
where:
bonds (distance) C4'-P energy: -13.600
bonds (distance) P-C4' energy: -19.314
flat angles C4'-P-C4' energy: -19.855
flat angles P-C4'-P energy: -11.337
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: 9, replica: 10
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -202.238455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.238455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.238455 (E_RNA)
where:
Base-Base interactions energy: -122.292
where: short stacking energy: -62.684
Base-Backbone interact. energy: -0.173
local terms energy: -79.773420
where:
bonds (distance) C4'-P energy: -18.271
bonds (distance) P-C4' energy: -23.191
flat angles C4'-P-C4' energy: -20.078
flat angles P-C4'-P energy: -6.951
tors. eta vs tors. theta energy: -11.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -110.691261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.691261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.691261 (E_RNA)
where:
Base-Base interactions energy: -40.446
where: short stacking energy: -29.534
Base-Backbone interact. energy: -1.317
local terms energy: -68.928171
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -24.570
flat angles C4'-P-C4' energy: -19.909
flat angles P-C4'-P energy: -3.863
tors. eta vs tors. theta energy: -4.947
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: 5
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -373.055273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.055273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.055273 (E_RNA)
where:
Base-Base interactions energy: -257.386
where: short stacking energy: -105.810
Base-Backbone interact. energy: -0.106
local terms energy: -115.562596
where:
bonds (distance) C4'-P energy: -19.441
bonds (distance) P-C4' energy: -24.042
flat angles C4'-P-C4' energy: -24.483
flat angles P-C4'-P energy: -16.374
tors. eta vs tors. theta energy: -31.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -328.297295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.297295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.297295 (E_RNA)
where:
Base-Base interactions energy: -218.162
where: short stacking energy: -100.433
Base-Backbone interact. energy: -0.456
local terms energy: -109.679635
where:
bonds (distance) C4'-P energy: -19.039
bonds (distance) P-C4' energy: -21.280
flat angles C4'-P-C4' energy: -23.627
flat angles P-C4'-P energy: -18.661
tors. eta vs tors. theta energy: -27.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -311.731629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.731629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.731629 (E_RNA)
where:
Base-Base interactions energy: -211.190
where: short stacking energy: -84.598
Base-Backbone interact. energy: -0.124
local terms energy: -100.417290
where:
bonds (distance) C4'-P energy: -18.853
bonds (distance) P-C4' energy: -23.400
flat angles C4'-P-C4' energy: -25.996
flat angles P-C4'-P energy: -11.359
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: 4, replica: 1
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -279.594959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.594959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.594959 (E_RNA)
where:
Base-Base interactions energy: -185.695
where: short stacking energy: -89.873
Base-Backbone interact. energy: -0.049
local terms energy: -93.850951
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -21.316
flat angles C4'-P-C4' energy: -21.661
flat angles P-C4'-P energy: -14.842
tors. eta vs tors. theta energy: -23.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -281.311923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.311923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.311923 (E_RNA)
where:
Base-Base interactions energy: -179.273
where: short stacking energy: -82.416
Base-Backbone interact. energy: -0.328
local terms energy: -101.710694
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -25.060
flat angles C4'-P-C4' energy: -21.442
flat angles P-C4'-P energy: -14.926
tors. eta vs tors. theta energy: -23.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -255.975555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.975555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.975555 (E_RNA)
where:
Base-Base interactions energy: -154.151
where: short stacking energy: -66.489
Base-Backbone interact. energy: -0.405
local terms energy: -101.419711
where:
bonds (distance) C4'-P energy: -23.907
bonds (distance) P-C4' energy: -26.841
flat angles C4'-P-C4' energy: -20.801
flat angles P-C4'-P energy: -12.367
tors. eta vs tors. theta energy: -17.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -240.090402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.090402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.090402 (E_RNA)
where:
Base-Base interactions energy: -150.449
where: short stacking energy: -69.815
Base-Backbone interact. energy: -0.235
local terms energy: -89.406306
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -20.010
flat angles C4'-P-C4' energy: -21.395
flat angles P-C4'-P energy: -17.419
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: 8, replica: 10
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -201.145648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.145648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.145648 (E_RNA)
where:
Base-Base interactions energy: -116.970
where: short stacking energy: -60.675
Base-Backbone interact. energy: -0.464
local terms energy: -83.712118
where:
bonds (distance) C4'-P energy: -21.992
bonds (distance) P-C4' energy: -19.863
flat angles C4'-P-C4' energy: -25.407
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: -7.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -215.242939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.242939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.242939 (E_RNA)
where:
Base-Base interactions energy: -126.237
where: short stacking energy: -61.021
Base-Backbone interact. energy: 1.306
local terms energy: -90.311738
where:
bonds (distance) C4'-P energy: -14.912
bonds (distance) P-C4' energy: -25.406
flat angles C4'-P-C4' energy: -23.926
flat angles P-C4'-P energy: -16.248
tors. eta vs tors. theta energy: -9.820
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: 10, replica: 2
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -108.093697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.093697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.093697 (E_RNA)
where:
Base-Base interactions energy: -42.027
where: short stacking energy: -27.636
Base-Backbone interact. energy: -0.439
local terms energy: -65.626983
where:
bonds (distance) C4'-P energy: -16.652
bonds (distance) P-C4' energy: -23.586
flat angles C4'-P-C4' energy: -15.672
flat angles P-C4'-P energy: -9.716
tors. eta vs tors. theta energy: -0.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -369.991666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.991666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.991666 (E_RNA)
where:
Base-Base interactions energy: -259.703
where: short stacking energy: -107.306
Base-Backbone interact. energy: -0.025
local terms energy: -110.263000
where:
bonds (distance) C4'-P energy: -18.910
bonds (distance) P-C4' energy: -22.750
flat angles C4'-P-C4' energy: -24.992
flat angles P-C4'-P energy: -11.051
tors. eta vs tors. theta energy: -32.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -328.491446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.491446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.491446 (E_RNA)
where:
Base-Base interactions energy: -215.062
where: short stacking energy: -101.253
Base-Backbone interact. energy: -0.811
local terms energy: -112.618092
where:
bonds (distance) C4'-P energy: -19.176
bonds (distance) P-C4' energy: -23.098
flat angles C4'-P-C4' energy: -20.924
flat angles P-C4'-P energy: -19.159
tors. eta vs tors. theta energy: -30.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -306.105725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.105725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.105725 (E_RNA)
where:
Base-Base interactions energy: -197.173
where: short stacking energy: -100.886
Base-Backbone interact. energy: -0.037
local terms energy: -108.895493
where:
bonds (distance) C4'-P energy: -20.890
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -23.535
flat angles P-C4'-P energy: -18.296
tors. eta vs tors. theta energy: -29.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -309.211061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.211061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.211061 (E_RNA)
where:
Base-Base interactions energy: -202.288
where: short stacking energy: -90.945
Base-Backbone interact. energy: 0.701
local terms energy: -107.624584
where:
bonds (distance) C4'-P energy: -24.433
bonds (distance) P-C4' energy: -23.117
flat angles C4'-P-C4' energy: -22.541
flat angles P-C4'-P energy: -12.936
tors. eta vs tors. theta energy: -24.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -279.539787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.539787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.539787 (E_RNA)
where:
Base-Base interactions energy: -178.090
where: short stacking energy: -87.616
Base-Backbone interact. energy: -0.255
local terms energy: -101.195171
where:
bonds (distance) C4'-P energy: -24.763
bonds (distance) P-C4' energy: -18.741
flat angles C4'-P-C4' energy: -23.855
flat angles P-C4'-P energy: -14.311
tors. eta vs tors. theta energy: -19.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -260.922835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.922835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.922835 (E_RNA)
where:
Base-Base interactions energy: -163.367
where: short stacking energy: -77.188
Base-Backbone interact. energy: -0.114
local terms energy: -97.442509
where:
bonds (distance) C4'-P energy: -12.820
bonds (distance) P-C4' energy: -27.201
flat angles C4'-P-C4' energy: -23.356
flat angles P-C4'-P energy: -13.390
tors. eta vs tors. theta energy: -20.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -249.934461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.934461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.934461 (E_RNA)
where:
Base-Base interactions energy: -163.710
where: short stacking energy: -78.287
Base-Backbone interact. energy: -0.040
local terms energy: -86.184601
where:
bonds (distance) C4'-P energy: -17.685
bonds (distance) P-C4' energy: -18.026
flat angles C4'-P-C4' energy: -18.279
flat angles P-C4'-P energy: -12.448
tors. eta vs tors. theta energy: -19.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -204.487124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.487124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.487124 (E_RNA)
where:
Base-Base interactions energy: -117.981
where: short stacking energy: -54.174
Base-Backbone interact. energy: -0.264
local terms energy: -86.241600
where:
bonds (distance) C4'-P energy: -21.031
bonds (distance) P-C4' energy: -25.601
flat angles C4'-P-C4' energy: -17.659
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: -11.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -205.411318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.411318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.411318 (E_RNA)
where:
Base-Base interactions energy: -116.100
where: short stacking energy: -67.104
Base-Backbone interact. energy: -0.195
local terms energy: -89.116488
where:
bonds (distance) C4'-P energy: -16.952
bonds (distance) P-C4' energy: -24.878
flat angles C4'-P-C4' energy: -24.634
flat angles P-C4'-P energy: -13.088
tors. eta vs tors. theta energy: -9.565
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: 2
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -107.986016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.986016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.986016 (E_RNA)
where:
Base-Base interactions energy: -35.797
where: short stacking energy: -34.695
Base-Backbone interact. energy: -1.454
local terms energy: -70.735247
where:
bonds (distance) C4'-P energy: -17.275
bonds (distance) P-C4' energy: -20.731
flat angles C4'-P-C4' energy: -22.759
flat angles P-C4'-P energy: -13.924
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: 1, replica: 5
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -380.261089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.261089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.261089 (E_RNA)
where:
Base-Base interactions energy: -258.216
where: short stacking energy: -105.711
Base-Backbone interact. energy: -0.008
local terms energy: -122.036632
where:
bonds (distance) C4'-P energy: -20.151
bonds (distance) P-C4' energy: -24.148
flat angles C4'-P-C4' energy: -26.534
flat angles P-C4'-P energy: -19.282
tors. eta vs tors. theta energy: -31.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -325.275035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.275035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.275035 (E_RNA)
where:
Base-Base interactions energy: -213.418
where: short stacking energy: -102.171
Base-Backbone interact. energy: -0.159
local terms energy: -111.697871
where:
bonds (distance) C4'-P energy: -19.655
bonds (distance) P-C4' energy: -23.031
flat angles C4'-P-C4' energy: -22.143
flat angles P-C4'-P energy: -19.430
tors. eta vs tors. theta energy: -27.439
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: 1
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -290.954498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.954498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.954498 (E_RNA)
where:
Base-Base interactions energy: -181.982
where: short stacking energy: -89.250
Base-Backbone interact. energy: 0.790
local terms energy: -109.762521
where:
bonds (distance) C4'-P energy: -22.254
bonds (distance) P-C4' energy: -24.237
flat angles C4'-P-C4' energy: -22.302
flat angles P-C4'-P energy: -15.390
tors. eta vs tors. theta energy: -25.580
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: 4
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -259.564075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.564075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.564075 (E_RNA)
where:
Base-Base interactions energy: -163.222
where: short stacking energy: -80.258
Base-Backbone interact. energy: -0.853
local terms energy: -95.489244
where:
bonds (distance) C4'-P energy: -24.610
bonds (distance) P-C4' energy: -23.900
flat angles C4'-P-C4' energy: -21.117
flat angles P-C4'-P energy: -11.113
tors. eta vs tors. theta energy: -14.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -270.532994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.532994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.532994 (E_RNA)
where:
Base-Base interactions energy: -170.505
where: short stacking energy: -70.915
Base-Backbone interact. energy: 0.736
local terms energy: -100.764173
where:
bonds (distance) C4'-P energy: -19.909
bonds (distance) P-C4' energy: -22.551
flat angles C4'-P-C4' energy: -21.605
flat angles P-C4'-P energy: -17.105
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: 6, replica: 8
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -258.737229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.737229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.737229 (E_RNA)
where:
Base-Base interactions energy: -169.348
where: short stacking energy: -76.930
Base-Backbone interact. energy: -0.230
local terms energy: -89.158728
where:
bonds (distance) C4'-P energy: -17.491
bonds (distance) P-C4' energy: -25.057
flat angles C4'-P-C4' energy: -21.469
flat angles P-C4'-P energy: -12.275
tors. eta vs tors. theta energy: -12.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -241.849912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.849912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.849912 (E_RNA)
where:
Base-Base interactions energy: -139.613
where: short stacking energy: -68.585
Base-Backbone interact. energy: -0.088
local terms energy: -102.148920
where:
bonds (distance) C4'-P energy: -20.138
bonds (distance) P-C4' energy: -22.934
flat angles C4'-P-C4' energy: -23.295
flat angles P-C4'-P energy: -17.231
tors. eta vs tors. theta energy: -18.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -196.904668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.904668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.904668 (E_RNA)
where:
Base-Base interactions energy: -114.224
where: short stacking energy: -58.094
Base-Backbone interact. energy: -1.498
local terms energy: -81.183267
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -19.852
flat angles C4'-P-C4' energy: -22.215
flat angles P-C4'-P energy: -11.669
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: 9, replica: 10
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -208.384164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.384164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.384164 (E_RNA)
where:
Base-Base interactions energy: -121.113
where: short stacking energy: -62.236
Base-Backbone interact. energy: -0.360
local terms energy: -86.911646
where:
bonds (distance) C4'-P energy: -18.378
bonds (distance) P-C4' energy: -21.871
flat angles C4'-P-C4' energy: -19.192
flat angles P-C4'-P energy: -14.619
tors. eta vs tors. theta energy: -12.851
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: 2
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -112.923011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.923011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.923011 (E_RNA)
where:
Base-Base interactions energy: -35.781
where: short stacking energy: -33.059
Base-Backbone interact. energy: -0.013
local terms energy: -77.129837
where:
bonds (distance) C4'-P energy: -22.790
bonds (distance) P-C4' energy: -22.523
flat angles C4'-P-C4' energy: -14.264
flat angles P-C4'-P energy: -11.947
tors. eta vs tors. theta energy: -5.606
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: 5
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -375.483585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.483585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.483585 (E_RNA)
where:
Base-Base interactions energy: -247.817
where: short stacking energy: -112.543
Base-Backbone interact. energy: -0.021
local terms energy: -127.645894
where:
bonds (distance) C4'-P energy: -26.247
bonds (distance) P-C4' energy: -24.806
flat angles C4'-P-C4' energy: -25.512
flat angles P-C4'-P energy: -17.563
tors. eta vs tors. theta energy: -33.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -333.176695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.176695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.176695 (E_RNA)
where:
Base-Base interactions energy: -220.357
where: short stacking energy: -102.550
Base-Backbone interact. energy: -0.941
local terms energy: -111.879669
where:
bonds (distance) C4'-P energy: -24.765
bonds (distance) P-C4' energy: -23.369
flat angles C4'-P-C4' energy: -19.409
flat angles P-C4'-P energy: -13.906
tors. eta vs tors. theta energy: -30.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -286.227611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.227611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.227611 (E_RNA)
where:
Base-Base interactions energy: -181.673
where: short stacking energy: -84.762
Base-Backbone interact. energy: -0.385
local terms energy: -104.169663
where:
bonds (distance) C4'-P energy: -20.998
bonds (distance) P-C4' energy: -24.244
flat angles C4'-P-C4' energy: -25.921
flat angles P-C4'-P energy: -17.298
tors. eta vs tors. theta energy: -15.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -296.057776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.057776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.057776 (E_RNA)
where:
Base-Base interactions energy: -196.939
where: short stacking energy: -93.990
Base-Backbone interact. energy: -0.081
local terms energy: -99.037590
where:
bonds (distance) C4'-P energy: -18.534
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -21.212
flat angles P-C4'-P energy: -15.777
tors. eta vs tors. theta energy: -26.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -282.196448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.196448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.196448 (E_RNA)
where:
Base-Base interactions energy: -189.747
where: short stacking energy: -80.308
Base-Backbone interact. energy: 0.136
local terms energy: -92.585831
where:
bonds (distance) C4'-P energy: -19.175
bonds (distance) P-C4' energy: -18.639
flat angles C4'-P-C4' energy: -22.257
flat angles P-C4'-P energy: -17.291
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: 8
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -255.914712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.914712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.914712 (E_RNA)
where:
Base-Base interactions energy: -162.365
where: short stacking energy: -81.744
Base-Backbone interact. energy: 0.900
local terms energy: -94.449041
where:
bonds (distance) C4'-P energy: -20.329
bonds (distance) P-C4' energy: -21.341
flat angles C4'-P-C4' energy: -23.679
flat angles P-C4'-P energy: -13.530
tors. eta vs tors. theta energy: -15.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -203.282144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.282144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.282144 (E_RNA)
where:
Base-Base interactions energy: -112.701
where: short stacking energy: -55.922
Base-Backbone interact. energy: -0.738
local terms energy: -89.842866
where:
bonds (distance) C4'-P energy: -24.797
bonds (distance) P-C4' energy: -26.072
flat angles C4'-P-C4' energy: -20.017
flat angles P-C4'-P energy: -13.217
tors. eta vs tors. theta energy: -5.740
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: 9
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -206.990038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.990038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.990038 (E_RNA)
where:
Base-Base interactions energy: -118.342
where: short stacking energy: -54.254
Base-Backbone interact. energy: -0.549
local terms energy: -88.099437
where:
bonds (distance) C4'-P energy: -16.001
bonds (distance) P-C4' energy: -19.748
flat angles C4'-P-C4' energy: -23.548
flat angles P-C4'-P energy: -20.552
tors. eta vs tors. theta energy: -8.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -232.480550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.480550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.480550 (E_RNA)
where:
Base-Base interactions energy: -155.667
where: short stacking energy: -65.296
Base-Backbone interact. energy: 0.345
local terms energy: -77.158477
where:
bonds (distance) C4'-P energy: -12.601
bonds (distance) P-C4' energy: -20.709
flat angles C4'-P-C4' energy: -22.790
flat angles P-C4'-P energy: -12.112
tors. eta vs tors. theta energy: -8.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -118.341174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.341174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.341174 (E_RNA)
where:
Base-Base interactions energy: -50.694
where: short stacking energy: -41.230
Base-Backbone interact. energy: -0.288
local terms energy: -67.359863
where:
bonds (distance) C4'-P energy: -20.288
bonds (distance) P-C4' energy: -16.993
flat angles C4'-P-C4' energy: -18.903
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: -1.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -366.186683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.186683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.186683 (E_RNA)
where:
Base-Base interactions energy: -254.906
where: short stacking energy: -108.726
Base-Backbone interact. energy: -0.005
local terms energy: -111.275003
where:
bonds (distance) C4'-P energy: -21.611
bonds (distance) P-C4' energy: -19.759
flat angles C4'-P-C4' energy: -21.643
flat angles P-C4'-P energy: -19.600
tors. eta vs tors. theta energy: -28.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -304.303338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.303338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.303338 (E_RNA)
where:
Base-Base interactions energy: -200.947
where: short stacking energy: -96.741
Base-Backbone interact. energy: 0.920
local terms energy: -104.275855
where:
bonds (distance) C4'-P energy: -22.717
bonds (distance) P-C4' energy: -20.909
flat angles C4'-P-C4' energy: -20.576
flat angles P-C4'-P energy: -14.244
tors. eta vs tors. theta energy: -25.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -321.584321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.584321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.584321 (E_RNA)
where:
Base-Base interactions energy: -221.587
where: short stacking energy: -88.876
Base-Backbone interact. energy: -0.334
local terms energy: -99.662776
where:
bonds (distance) C4'-P energy: -17.457
bonds (distance) P-C4' energy: -24.778
flat angles C4'-P-C4' energy: -19.981
flat angles P-C4'-P energy: -15.778
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: 4, replica: 4
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -288.197700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.197700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.197700 (E_RNA)
where:
Base-Base interactions energy: -191.351
where: short stacking energy: -83.675
Base-Backbone interact. energy: 0.623
local terms energy: -97.470174
where:
bonds (distance) C4'-P energy: -18.077
bonds (distance) P-C4' energy: -24.358
flat angles C4'-P-C4' energy: -21.523
flat angles P-C4'-P energy: -12.129
tors. eta vs tors. theta energy: -21.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -281.128815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.128815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.128815 (E_RNA)
where:
Base-Base interactions energy: -184.347
where: short stacking energy: -86.261
Base-Backbone interact. energy: -0.161
local terms energy: -96.620803
where:
bonds (distance) C4'-P energy: -20.277
bonds (distance) P-C4' energy: -17.471
flat angles C4'-P-C4' energy: -16.898
flat angles P-C4'-P energy: -17.563
tors. eta vs tors. theta energy: -24.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -251.504734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.504734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.504734 (E_RNA)
where:
Base-Base interactions energy: -153.578
where: short stacking energy: -68.609
Base-Backbone interact. energy: -0.062
local terms energy: -97.863903
where:
bonds (distance) C4'-P energy: -25.741
bonds (distance) P-C4' energy: -19.599
flat angles C4'-P-C4' energy: -18.428
flat angles P-C4'-P energy: -15.811
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: 7, replica: 6
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -216.019037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.019037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.019037 (E_RNA)
where:
Base-Base interactions energy: -132.810
where: short stacking energy: -66.731
Base-Backbone interact. energy: 1.943
local terms energy: -85.152243
where:
bonds (distance) C4'-P energy: -19.070
bonds (distance) P-C4' energy: -19.462
flat angles C4'-P-C4' energy: -18.618
flat angles P-C4'-P energy: -13.888
tors. eta vs tors. theta energy: -14.114
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: 485
Temperature: 1.250000
Total energy: -241.012301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.012301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.012301 (E_RNA)
where:
Base-Base interactions energy: -154.069
where: short stacking energy: -63.500
Base-Backbone interact. energy: -0.763
local terms energy: -86.180424
where:
bonds (distance) C4'-P energy: -17.270
bonds (distance) P-C4' energy: -23.104
flat angles C4'-P-C4' energy: -14.260
flat angles P-C4'-P energy: -18.538
tors. eta vs tors. theta energy: -13.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -252.364826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.364826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.364826 (E_RNA)
where:
Base-Base interactions energy: -157.792
where: short stacking energy: -68.026
Base-Backbone interact. energy: -0.329
local terms energy: -94.244108
where:
bonds (distance) C4'-P energy: -21.158
bonds (distance) P-C4' energy: -18.884
flat angles C4'-P-C4' energy: -24.944
flat angles P-C4'-P energy: -14.646
tors. eta vs tors. theta energy: -14.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -117.932503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.932503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.932503 (E_RNA)
where:
Base-Base interactions energy: -42.509
where: short stacking energy: -37.424
Base-Backbone interact. energy: -0.332
local terms energy: -75.091524
where:
bonds (distance) C4'-P energy: -22.389
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -23.408
flat angles P-C4'-P energy: -7.867
tors. eta vs tors. theta energy: -3.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -368.947915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.947915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.947915 (E_RNA)
where:
Base-Base interactions energy: -252.754
where: short stacking energy: -110.665
Base-Backbone interact. energy: -0.005
local terms energy: -116.188476
where:
bonds (distance) C4'-P energy: -23.293
bonds (distance) P-C4' energy: -22.886
flat angles C4'-P-C4' energy: -22.295
flat angles P-C4'-P energy: -14.740
tors. eta vs tors. theta energy: -32.975
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: 1
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -329.283316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.283316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.283316 (E_RNA)
where:
Base-Base interactions energy: -212.630
where: short stacking energy: -105.356
Base-Backbone interact. energy: -0.115
local terms energy: -116.538791
where:
bonds (distance) C4'-P energy: -23.999
bonds (distance) P-C4' energy: -22.108
flat angles C4'-P-C4' energy: -26.472
flat angles P-C4'-P energy: -13.900
tors. eta vs tors. theta energy: -30.060
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: 7
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -320.275643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.275643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.275643 (E_RNA)
where:
Base-Base interactions energy: -225.122
where: short stacking energy: -86.861
Base-Backbone interact. energy: -0.253
local terms energy: -94.900699
where:
bonds (distance) C4'-P energy: -22.760
bonds (distance) P-C4' energy: -21.636
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -13.334
tors. eta vs tors. theta energy: -22.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -308.884707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.884707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.884707 (E_RNA)
where:
Base-Base interactions energy: -201.813
where: short stacking energy: -101.022
Base-Backbone interact. energy: 0.524
local terms energy: -107.595775
where:
bonds (distance) C4'-P energy: -20.371
bonds (distance) P-C4' energy: -24.881
flat angles C4'-P-C4' energy: -22.821
flat angles P-C4'-P energy: -14.494
tors. eta vs tors. theta energy: -25.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -284.328396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.328396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.328396 (E_RNA)
where:
Base-Base interactions energy: -188.699
where: short stacking energy: -81.013
Base-Backbone interact. energy: -0.114
local terms energy: -95.515646
where:
bonds (distance) C4'-P energy: -25.373
bonds (distance) P-C4' energy: -19.366
flat angles C4'-P-C4' energy: -23.648
flat angles P-C4'-P energy: -11.612
tors. eta vs tors. theta energy: -15.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -234.582741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.582741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.582741 (E_RNA)
where:
Base-Base interactions energy: -136.318
where: short stacking energy: -72.558
Base-Backbone interact. energy: -0.035
local terms energy: -98.229342
where:
bonds (distance) C4'-P energy: -16.877
bonds (distance) P-C4' energy: -21.367
flat angles C4'-P-C4' energy: -24.570
flat angles P-C4'-P energy: -17.260
tors. eta vs tors. theta energy: -18.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -257.722727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.722727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.722727 (E_RNA)
where:
Base-Base interactions energy: -157.001
where: short stacking energy: -77.875
Base-Backbone interact. energy: -0.647
local terms energy: -100.074720
where:
bonds (distance) C4'-P energy: -21.513
bonds (distance) P-C4' energy: -19.919
flat angles C4'-P-C4' energy: -23.719
flat angles P-C4'-P energy: -17.153
tors. eta vs tors. theta energy: -17.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -212.439415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.439415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.439415 (E_RNA)
where:
Base-Base interactions energy: -130.267
where: short stacking energy: -68.218
Base-Backbone interact. energy: -0.222
local terms energy: -81.950003
where:
bonds (distance) C4'-P energy: -20.553
bonds (distance) P-C4' energy: -12.038
flat angles C4'-P-C4' energy: -23.589
flat angles P-C4'-P energy: -15.775
tors. eta vs tors. theta energy: -9.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -254.642163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.642163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.642163 (E_RNA)
where:
Base-Base interactions energy: -174.826
where: short stacking energy: -85.281
Base-Backbone interact. energy: 1.130
local terms energy: -80.946175
where:
bonds (distance) C4'-P energy: -18.621
bonds (distance) P-C4' energy: -19.530
flat angles C4'-P-C4' energy: -18.298
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: -13.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -117.618694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.618694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.618694 (E_RNA)
where:
Base-Base interactions energy: -41.008
where: short stacking energy: -30.753
Base-Backbone interact. energy: -0.611
local terms energy: -75.999712
where:
bonds (distance) C4'-P energy: -19.678
bonds (distance) P-C4' energy: -25.614
flat angles C4'-P-C4' energy: -18.949
flat angles P-C4'-P energy: -9.027
tors. eta vs tors. theta energy: -2.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -356.375460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.375460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.375460 (E_RNA)
where:
Base-Base interactions energy: -244.893
where: short stacking energy: -105.532
Base-Backbone interact. energy: 0.171
local terms energy: -111.654270
where:
bonds (distance) C4'-P energy: -17.243
bonds (distance) P-C4' energy: -21.327
flat angles C4'-P-C4' energy: -25.759
flat angles P-C4'-P energy: -14.523
tors. eta vs tors. theta energy: -32.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -339.811764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.811764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.811764 (E_RNA)
where:
Base-Base interactions energy: -222.296
where: short stacking energy: -111.466
Base-Backbone interact. energy: -0.118
local terms energy: -117.397748
where:
bonds (distance) C4'-P energy: -23.614
bonds (distance) P-C4' energy: -20.403
flat angles C4'-P-C4' energy: -26.288
flat angles P-C4'-P energy: -14.417
tors. eta vs tors. theta energy: -32.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -303.177094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.177094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.177094 (E_RNA)
where:
Base-Base interactions energy: -194.117
where: short stacking energy: -79.691
Base-Backbone interact. energy: -1.359
local terms energy: -107.701147
where:
bonds (distance) C4'-P energy: -22.231
bonds (distance) P-C4' energy: -21.703
flat angles C4'-P-C4' energy: -25.931
flat angles P-C4'-P energy: -15.919
tors. eta vs tors. theta energy: -21.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -277.361302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.361302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.361302 (E_RNA)
where:
Base-Base interactions energy: -168.875
where: short stacking energy: -86.764
Base-Backbone interact. energy: -0.395
local terms energy: -108.091019
where:
bonds (distance) C4'-P energy: -21.566
bonds (distance) P-C4' energy: -24.317
flat angles C4'-P-C4' energy: -24.369
flat angles P-C4'-P energy: -18.467
tors. eta vs tors. theta energy: -19.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -272.596728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.596728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.596728 (E_RNA)
where:
Base-Base interactions energy: -177.956
where: short stacking energy: -82.906
Base-Backbone interact. energy: 0.386
local terms energy: -95.026789
where:
bonds (distance) C4'-P energy: -19.701
bonds (distance) P-C4' energy: -20.389
flat angles C4'-P-C4' energy: -20.832
flat angles P-C4'-P energy: -14.660
tors. eta vs tors. theta energy: -19.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -252.711774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.711774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.711774 (E_RNA)
where:
Base-Base interactions energy: -157.303
where: short stacking energy: -75.066
Base-Backbone interact. energy: -0.192
local terms energy: -95.216283
where:
bonds (distance) C4'-P energy: -19.374
bonds (distance) P-C4' energy: -27.269
flat angles C4'-P-C4' energy: -19.407
flat angles P-C4'-P energy: -13.130
tors. eta vs tors. theta energy: -16.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -229.800947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.800947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.800947 (E_RNA)
where:
Base-Base interactions energy: -146.230
where: short stacking energy: -71.858
Base-Backbone interact. energy: 0.224
local terms energy: -83.794775
where:
bonds (distance) C4'-P energy: -19.034
bonds (distance) P-C4' energy: -19.942
flat angles C4'-P-C4' energy: -18.968
flat angles P-C4'-P energy: -16.399
tors. eta vs tors. theta energy: -9.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -235.229969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.229969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.229969 (E_RNA)
where:
Base-Base interactions energy: -148.309
where: short stacking energy: -65.773
Base-Backbone interact. energy: 0.555
local terms energy: -87.476178
where:
bonds (distance) C4'-P energy: -21.426
bonds (distance) P-C4' energy: -19.049
flat angles C4'-P-C4' energy: -20.317
flat angles P-C4'-P energy: -16.396
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: 9, replica: 6
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -215.780731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.780731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.780731 (E_RNA)
where:
Base-Base interactions energy: -130.447
where: short stacking energy: -68.369
Base-Backbone interact. energy: -0.045
local terms energy: -85.288939
where:
bonds (distance) C4'-P energy: -15.165
bonds (distance) P-C4' energy: -17.889
flat angles C4'-P-C4' energy: -17.042
flat angles P-C4'-P energy: -12.419
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: 10, replica: 2
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -123.605340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.605340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.605340 (E_RNA)
where:
Base-Base interactions energy: -47.851
where: short stacking energy: -42.937
Base-Backbone interact. energy: -0.223
local terms energy: -75.531136
where:
bonds (distance) C4'-P energy: -17.990
bonds (distance) P-C4' energy: -18.535
flat angles C4'-P-C4' energy: -19.520
flat angles P-C4'-P energy: -13.818
tors. eta vs tors. theta energy: -5.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -365.548949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.548949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.548949 (E_RNA)
where:
Base-Base interactions energy: -250.490
where: short stacking energy: -107.859
Base-Backbone interact. energy: -0.015
local terms energy: -115.044568
where:
bonds (distance) C4'-P energy: -20.508
bonds (distance) P-C4' energy: -22.300
flat angles C4'-P-C4' energy: -21.893
flat angles P-C4'-P energy: -18.290
tors. eta vs tors. theta energy: -32.053
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: 2, replica: 1
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -319.887461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.887461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.887461 (E_RNA)
where:
Base-Base interactions energy: -198.779
where: short stacking energy: -95.840
Base-Backbone interact. energy: -0.140
local terms energy: -120.968338
where:
bonds (distance) C4'-P energy: -22.843
bonds (distance) P-C4' energy: -27.405
flat angles C4'-P-C4' energy: -26.651
flat angles P-C4'-P energy: -18.348
tors. eta vs tors. theta energy: -25.721
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: 7
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -309.756702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.756702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.756702 (E_RNA)
where:
Base-Base interactions energy: -205.642
where: short stacking energy: -89.499
Base-Backbone interact. energy: -0.582
local terms energy: -103.532068
where:
bonds (distance) C4'-P energy: -23.252
bonds (distance) P-C4' energy: -23.452
flat angles C4'-P-C4' energy: -21.844
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -22.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -279.924136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.924136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.924136 (E_RNA)
where:
Base-Base interactions energy: -180.406
where: short stacking energy: -85.472
Base-Backbone interact. energy: 0.446
local terms energy: -99.963467
where:
bonds (distance) C4'-P energy: -22.496
bonds (distance) P-C4' energy: -24.990
flat angles C4'-P-C4' energy: -23.713
flat angles P-C4'-P energy: -7.144
tors. eta vs tors. theta energy: -21.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -273.467429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.467429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.467429 (E_RNA)
where:
Base-Base interactions energy: -172.903
where: short stacking energy: -80.601
Base-Backbone interact. energy: -0.244
local terms energy: -100.320689
where:
bonds (distance) C4'-P energy: -19.887
bonds (distance) P-C4' energy: -24.620
flat angles C4'-P-C4' energy: -22.400
flat angles P-C4'-P energy: -14.660
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: 6, replica: 3
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -250.908662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.908662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.908662 (E_RNA)
where:
Base-Base interactions energy: -158.560
where: short stacking energy: -68.511
Base-Backbone interact. energy: -0.245
local terms energy: -92.103837
where:
bonds (distance) C4'-P energy: -17.436
bonds (distance) P-C4' energy: -22.170
flat angles C4'-P-C4' energy: -21.263
flat angles P-C4'-P energy: -17.105
tors. eta vs tors. theta energy: -14.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -245.092207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.092207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.092207 (E_RNA)
where:
Base-Base interactions energy: -156.667
where: short stacking energy: -69.425
Base-Backbone interact. energy: -0.044
local terms energy: -88.381055
where:
bonds (distance) C4'-P energy: -20.004
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -17.537
flat angles P-C4'-P energy: -12.819
tors. eta vs tors. theta energy: -20.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -214.729181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.729181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.729181 (E_RNA)
where:
Base-Base interactions energy: -136.733
where: short stacking energy: -78.545
Base-Backbone interact. energy: -0.056
local terms energy: -77.940759
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -16.200
flat angles C4'-P-C4' energy: -21.269
flat angles P-C4'-P energy: -11.255
tors. eta vs tors. theta energy: -14.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -200.561405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.561405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.561405 (E_RNA)
where:
Base-Base interactions energy: -111.496
where: short stacking energy: -59.844
Base-Backbone interact. energy: -0.132
local terms energy: -88.934251
where:
bonds (distance) C4'-P energy: -21.092
bonds (distance) P-C4' energy: -22.594
flat angles C4'-P-C4' energy: -22.528
flat angles P-C4'-P energy: -6.109
tors. eta vs tors. theta energy: -16.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -115.355820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.355820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.355820 (E_RNA)
where:
Base-Base interactions energy: -39.436
where: short stacking energy: -34.469
Base-Backbone interact. energy: 1.724
local terms energy: -77.644155
where:
bonds (distance) C4'-P energy: -25.622
bonds (distance) P-C4' energy: -17.296
flat angles C4'-P-C4' energy: -22.314
flat angles P-C4'-P energy: -12.931
tors. eta vs tors. theta energy: 0.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -382.020604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.020604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.020604 (E_RNA)
where:
Base-Base interactions energy: -266.775
where: short stacking energy: -111.076
Base-Backbone interact. energy: -0.002
local terms energy: -115.243191
where:
bonds (distance) C4'-P energy: -19.123
bonds (distance) P-C4' energy: -22.073
flat angles C4'-P-C4' energy: -24.853
flat angles P-C4'-P energy: -17.344
tors. eta vs tors. theta energy: -31.850
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: 1
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -312.748418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.748418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.748418 (E_RNA)
where:
Base-Base interactions energy: -197.665
where: short stacking energy: -108.479
Base-Backbone interact. energy: -0.068
local terms energy: -115.015936
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -22.468
flat angles C4'-P-C4' energy: -23.983
flat angles P-C4'-P energy: -17.069
tors. eta vs tors. theta energy: -34.632
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: 7
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -312.067359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.067359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.067359 (E_RNA)
where:
Base-Base interactions energy: -205.576
where: short stacking energy: -85.055
Base-Backbone interact. energy: 0.927
local terms energy: -107.417640
where:
bonds (distance) C4'-P energy: -19.697
bonds (distance) P-C4' energy: -25.098
flat angles C4'-P-C4' energy: -23.823
flat angles P-C4'-P energy: -14.331
tors. eta vs tors. theta energy: -24.469
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: 10
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -283.000065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.000065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.000065 (E_RNA)
where:
Base-Base interactions energy: -186.518
where: short stacking energy: -87.818
Base-Backbone interact. energy: -0.171
local terms energy: -96.311717
where:
bonds (distance) C4'-P energy: -16.286
bonds (distance) P-C4' energy: -20.157
flat angles C4'-P-C4' energy: -23.928
flat angles P-C4'-P energy: -16.142
tors. eta vs tors. theta energy: -19.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -266.466804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.466804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.466804 (E_RNA)
where:
Base-Base interactions energy: -160.179
where: short stacking energy: -86.765
Base-Backbone interact. energy: -0.157
local terms energy: -106.130784
where:
bonds (distance) C4'-P energy: -16.605
bonds (distance) P-C4' energy: -21.674
flat angles C4'-P-C4' energy: -27.697
flat angles P-C4'-P energy: -16.416
tors. eta vs tors. theta energy: -23.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -226.191509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.191509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.191509 (E_RNA)
where:
Base-Base interactions energy: -134.593
where: short stacking energy: -63.813
Base-Backbone interact. energy: -0.383
local terms energy: -91.215396
where:
bonds (distance) C4'-P energy: -21.957
bonds (distance) P-C4' energy: -23.939
flat angles C4'-P-C4' energy: -20.700
flat angles P-C4'-P energy: -11.944
tors. eta vs tors. theta energy: -12.675
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: 3
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -256.485763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.485763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.485763 (E_RNA)
where:
Base-Base interactions energy: -163.497
where: short stacking energy: -84.863
Base-Backbone interact. energy: -0.060
local terms energy: -92.929168
where:
bonds (distance) C4'-P energy: -26.284
bonds (distance) P-C4' energy: -14.665
flat angles C4'-P-C4' energy: -15.758
flat angles P-C4'-P energy: -14.066
tors. eta vs tors. theta energy: -22.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -228.034834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.034834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.034834 (E_RNA)
where:
Base-Base interactions energy: -137.033
where: short stacking energy: -74.542
Base-Backbone interact. energy: -0.070
local terms energy: -90.931932
where:
bonds (distance) C4'-P energy: -20.141
bonds (distance) P-C4' energy: -21.107
flat angles C4'-P-C4' energy: -19.175
flat angles P-C4'-P energy: -12.814
tors. eta vs tors. theta energy: -17.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -231.316184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.316184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.316184 (E_RNA)
where:
Base-Base interactions energy: -142.279
where: short stacking energy: -66.567
Base-Backbone interact. energy: -0.097
local terms energy: -88.939910
where:
bonds (distance) C4'-P energy: -16.996
bonds (distance) P-C4' energy: -18.810
flat angles C4'-P-C4' energy: -23.527
flat angles P-C4'-P energy: -15.565
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: 10, replica: 2
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -110.352936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.352936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.352936 (E_RNA)
where:
Base-Base interactions energy: -27.952
where: short stacking energy: -27.229
Base-Backbone interact. energy: -0.369
local terms energy: -82.031317
where:
bonds (distance) C4'-P energy: -23.110
bonds (distance) P-C4' energy: -25.751
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -13.104
tors. eta vs tors. theta energy: -3.972
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: 1, replica: 5
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -368.226786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.226786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.226786 (E_RNA)
where:
Base-Base interactions energy: -247.957
where: short stacking energy: -108.648
Base-Backbone interact. energy: -0.022
local terms energy: -120.248136
where:
bonds (distance) C4'-P energy: -24.231
bonds (distance) P-C4' energy: -24.345
flat angles C4'-P-C4' energy: -20.276
flat angles P-C4'-P energy: -16.255
tors. eta vs tors. theta energy: -35.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -304.447317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.447317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.447317 (E_RNA)
where:
Base-Base interactions energy: -204.560
where: short stacking energy: -100.087
Base-Backbone interact. energy: -0.040
local terms energy: -99.846922
where:
bonds (distance) C4'-P energy: -18.969
bonds (distance) P-C4' energy: -18.478
flat angles C4'-P-C4' energy: -21.210
flat angles P-C4'-P energy: -15.605
tors. eta vs tors. theta energy: -25.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -289.800239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.800239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.800239 (E_RNA)
where:
Base-Base interactions energy: -185.172
where: short stacking energy: -88.994
Base-Backbone interact. energy: -0.272
local terms energy: -104.356125
where:
bonds (distance) C4'-P energy: -23.081
bonds (distance) P-C4' energy: -20.806
flat angles C4'-P-C4' energy: -18.078
flat angles P-C4'-P energy: -15.901
tors. eta vs tors. theta energy: -26.490
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: 7
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -287.184348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.184348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.184348 (E_RNA)
where:
Base-Base interactions energy: -181.332
where: short stacking energy: -86.145
Base-Backbone interact. energy: 0.633
local terms energy: -106.484803
where:
bonds (distance) C4'-P energy: -23.345
bonds (distance) P-C4' energy: -23.486
flat angles C4'-P-C4' energy: -26.555
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -23.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -282.592225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.592225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.592225 (E_RNA)
where:
Base-Base interactions energy: -184.410
where: short stacking energy: -86.043
Base-Backbone interact. energy: -0.290
local terms energy: -97.892227
where:
bonds (distance) C4'-P energy: -18.689
bonds (distance) P-C4' energy: -21.987
flat angles C4'-P-C4' energy: -24.810
flat angles P-C4'-P energy: -12.785
tors. eta vs tors. theta energy: -19.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -270.035416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.035416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.035416 (E_RNA)
where:
Base-Base interactions energy: -185.363
where: short stacking energy: -87.023
Base-Backbone interact. energy: -0.119
local terms energy: -84.553100
where:
bonds (distance) C4'-P energy: -22.840
bonds (distance) P-C4' energy: -20.792
flat angles C4'-P-C4' energy: -18.828
flat angles P-C4'-P energy: -5.585
tors. eta vs tors. theta energy: -16.508
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: 6
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -214.600665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.600665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.600665 (E_RNA)
where:
Base-Base interactions energy: -129.154
where: short stacking energy: -68.145
Base-Backbone interact. energy: 0.746
local terms energy: -86.192144
where:
bonds (distance) C4'-P energy: -23.076
bonds (distance) P-C4' energy: -21.583
flat angles C4'-P-C4' energy: -22.789
flat angles P-C4'-P energy: -9.866
tors. eta vs tors. theta energy: -8.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -243.683420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.683420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.683420 (E_RNA)
where:
Base-Base interactions energy: -157.341
where: short stacking energy: -73.557
Base-Backbone interact. energy: -0.195
local terms energy: -86.147707
where:
bonds (distance) C4'-P energy: -19.073
bonds (distance) P-C4' energy: -19.072
flat angles C4'-P-C4' energy: -16.281
flat angles P-C4'-P energy: -12.464
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: 9, replica: 8
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -233.079912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.079912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.079912 (E_RNA)
where:
Base-Base interactions energy: -142.494
where: short stacking energy: -60.380
Base-Backbone interact. energy: -0.156
local terms energy: -90.430519
where:
bonds (distance) C4'-P energy: -20.625
bonds (distance) P-C4' energy: -17.400
flat angles C4'-P-C4' energy: -26.672
flat angles P-C4'-P energy: -15.210
tors. eta vs tors. theta energy: -10.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -125.004734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.004734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.004734 (E_RNA)
where:
Base-Base interactions energy: -39.486
where: short stacking energy: -39.486
Base-Backbone interact. energy: -1.519
local terms energy: -83.999958
where:
bonds (distance) C4'-P energy: -19.568
bonds (distance) P-C4' energy: -20.311
flat angles C4'-P-C4' energy: -21.026
flat angles P-C4'-P energy: -13.457
tors. eta vs tors. theta energy: -9.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -374.934178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.934178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.934178 (E_RNA)
where:
Base-Base interactions energy: -255.823
where: short stacking energy: -112.224
Base-Backbone interact. energy: -0.027
local terms energy: -119.084064
where:
bonds (distance) C4'-P energy: -24.143
bonds (distance) P-C4' energy: -21.108
flat angles C4'-P-C4' energy: -26.345
flat angles P-C4'-P energy: -16.217
tors. eta vs tors. theta energy: -31.271
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: 10
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -296.158029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.158029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.158029 (E_RNA)
where:
Base-Base interactions energy: -185.709
where: short stacking energy: -99.534
Base-Backbone interact. energy: -0.075
local terms energy: -110.373470
where:
bonds (distance) C4'-P energy: -18.910
bonds (distance) P-C4' energy: -25.174
flat angles C4'-P-C4' energy: -23.721
flat angles P-C4'-P energy: -18.388
tors. eta vs tors. theta energy: -24.181
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: 3, replica: 1
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -293.308608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.308608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.308608 (E_RNA)
where:
Base-Base interactions energy: -200.337
where: short stacking energy: -82.570
Base-Backbone interact. energy: -0.895
local terms energy: -92.076290
where:
bonds (distance) C4'-P energy: -20.353
bonds (distance) P-C4' energy: -22.416
flat angles C4'-P-C4' energy: -18.470
flat angles P-C4'-P energy: -16.517
tors. eta vs tors. theta energy: -14.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -308.894243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.894243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.894243 (E_RNA)
where:
Base-Base interactions energy: -199.589
where: short stacking energy: -97.448
Base-Backbone interact. energy: 1.116
local terms energy: -110.420767
where:
bonds (distance) C4'-P energy: -19.880
bonds (distance) P-C4' energy: -23.634
flat angles C4'-P-C4' energy: -25.164
flat angles P-C4'-P energy: -7.567
tors. eta vs tors. theta energy: -34.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -294.994701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.994701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.994701 (E_RNA)
where:
Base-Base interactions energy: -189.313
where: short stacking energy: -83.861
Base-Backbone interact. energy: -0.049
local terms energy: -105.632946
where:
bonds (distance) C4'-P energy: -20.372
bonds (distance) P-C4' energy: -24.272
flat angles C4'-P-C4' energy: -26.291
flat angles P-C4'-P energy: -13.602
tors. eta vs tors. theta energy: -21.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -270.727259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.727259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.727259 (E_RNA)
where:
Base-Base interactions energy: -188.488
where: short stacking energy: -75.900
Base-Backbone interact. energy: -0.199
local terms energy: -82.040428
where:
bonds (distance) C4'-P energy: -15.798
bonds (distance) P-C4' energy: -18.862
flat angles C4'-P-C4' energy: -21.867
flat angles P-C4'-P energy: -12.568
tors. eta vs tors. theta energy: -12.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -208.817313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.817313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.817313 (E_RNA)
where:
Base-Base interactions energy: -131.288
where: short stacking energy: -63.974
Base-Backbone interact. energy: -0.973
local terms energy: -76.556461
where:
bonds (distance) C4'-P energy: -21.082
bonds (distance) P-C4' energy: -18.610
flat angles C4'-P-C4' energy: -22.576
flat angles P-C4'-P energy: -7.679
tors. eta vs tors. theta energy: -6.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -235.953365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.953365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.953365 (E_RNA)
where:
Base-Base interactions energy: -143.929
where: short stacking energy: -58.494
Base-Backbone interact. energy: -0.090
local terms energy: -91.934420
where:
bonds (distance) C4'-P energy: -17.703
bonds (distance) P-C4' energy: -27.277
flat angles C4'-P-C4' energy: -21.219
flat angles P-C4'-P energy: -8.072
tors. eta vs tors. theta energy: -17.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -224.422220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.422220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.422220 (E_RNA)
where:
Base-Base interactions energy: -146.067
where: short stacking energy: -63.193
Base-Backbone interact. energy: -0.119
local terms energy: -78.236667
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -20.301
flat angles C4'-P-C4' energy: -11.597
flat angles P-C4'-P energy: -13.199
tors. eta vs tors. theta energy: -17.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -130.415574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.415574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.415574 (E_RNA)
where:
Base-Base interactions energy: -70.254
where: short stacking energy: -28.060
Base-Backbone interact. energy: 0.320
local terms energy: -60.480900
where:
bonds (distance) C4'-P energy: -23.092
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -14.652
flat angles P-C4'-P energy: -6.869
tors. eta vs tors. theta energy: 0.721
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: 1, replica: 5
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -367.338491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.338491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.338491 (E_RNA)
where:
Base-Base interactions energy: -252.024
where: short stacking energy: -111.835
Base-Backbone interact. energy: -0.123
local terms energy: -115.190596
where:
bonds (distance) C4'-P energy: -20.748
bonds (distance) P-C4' energy: -21.938
flat angles C4'-P-C4' energy: -24.628
flat angles P-C4'-P energy: -13.031
tors. eta vs tors. theta energy: -34.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -298.155013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.155013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.155013 (E_RNA)
where:
Base-Base interactions energy: -189.474
where: short stacking energy: -90.738
Base-Backbone interact. energy: -0.347
local terms energy: -108.333516
where:
bonds (distance) C4'-P energy: -19.328
bonds (distance) P-C4' energy: -22.494
flat angles C4'-P-C4' energy: -20.964
flat angles P-C4'-P energy: -18.369
tors. eta vs tors. theta energy: -27.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -296.961569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.961569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.961569 (E_RNA)
where:
Base-Base interactions energy: -181.764
where: short stacking energy: -90.732
Base-Backbone interact. energy: -0.260
local terms energy: -114.937229
where:
bonds (distance) C4'-P energy: -22.739
bonds (distance) P-C4' energy: -27.540
flat angles C4'-P-C4' energy: -23.211
flat angles P-C4'-P energy: -16.134
tors. eta vs tors. theta energy: -25.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -285.361776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.361776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.361776 (E_RNA)
where:
Base-Base interactions energy: -184.748
where: short stacking energy: -85.745
Base-Backbone interact. energy: -0.751
local terms energy: -99.862063
where:
bonds (distance) C4'-P energy: -17.068
bonds (distance) P-C4' energy: -25.804
flat angles C4'-P-C4' energy: -22.133
flat angles P-C4'-P energy: -14.770
tors. eta vs tors. theta energy: -20.088
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: 7
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -295.694477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.694477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.694477 (E_RNA)
where:
Base-Base interactions energy: -201.085
where: short stacking energy: -82.524
Base-Backbone interact. energy: -0.165
local terms energy: -94.444490
where:
bonds (distance) C4'-P energy: -20.323
bonds (distance) P-C4' energy: -19.806
flat angles C4'-P-C4' energy: -24.067
flat angles P-C4'-P energy: -9.613
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: 6, replica: 9
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -271.288540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.288540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.288540 (E_RNA)
where:
Base-Base interactions energy: -159.674
where: short stacking energy: -79.840
Base-Backbone interact. energy: 2.080
local terms energy: -113.694594
where:
bonds (distance) C4'-P energy: -22.403
bonds (distance) P-C4' energy: -24.672
flat angles C4'-P-C4' energy: -23.819
flat angles P-C4'-P energy: -17.651
tors. eta vs tors. theta energy: -25.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -217.211645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.211645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.211645 (E_RNA)
where:
Base-Base interactions energy: -141.388
where: short stacking energy: -71.616
Base-Backbone interact. energy: -0.565
local terms energy: -75.258106
where:
bonds (distance) C4'-P energy: -14.610
bonds (distance) P-C4' energy: -21.520
flat angles C4'-P-C4' energy: -19.614
flat angles P-C4'-P energy: -13.312
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: 8, replica: 8
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -244.908942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.908942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.908942 (E_RNA)
where:
Base-Base interactions energy: -172.139
where: short stacking energy: -83.849
Base-Backbone interact. energy: -0.043
local terms energy: -72.727461
where:
bonds (distance) C4'-P energy: -13.455
bonds (distance) P-C4' energy: -18.965
flat angles C4'-P-C4' energy: -10.360
flat angles P-C4'-P energy: -10.447
tors. eta vs tors. theta energy: -19.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -194.726215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.726215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.726215 (E_RNA)
where:
Base-Base interactions energy: -121.537
where: short stacking energy: -68.011
Base-Backbone interact. energy: -0.380
local terms energy: -72.809234
where:
bonds (distance) C4'-P energy: -15.859
bonds (distance) P-C4' energy: -12.705
flat angles C4'-P-C4' energy: -23.047
flat angles P-C4'-P energy: -17.339
tors. eta vs tors. theta energy: -3.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -203.797625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.797625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.797625 (E_RNA)
where:
Base-Base interactions energy: -117.095
where: short stacking energy: -61.633
Base-Backbone interact. energy: -0.762
local terms energy: -85.940483
where:
bonds (distance) C4'-P energy: -22.636
bonds (distance) P-C4' energy: -21.453
flat angles C4'-P-C4' energy: -23.542
flat angles P-C4'-P energy: -10.912
tors. eta vs tors. theta energy: -7.397
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: 493
Temperature: 0.900000
Total energy: -367.842082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.842082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.842082 (E_RNA)
where:
Base-Base interactions energy: -247.186
where: short stacking energy: -107.990
Base-Backbone interact. energy: -0.026
local terms energy: -120.630193
where:
bonds (distance) C4'-P energy: -17.536
bonds (distance) P-C4' energy: -25.234
flat angles C4'-P-C4' energy: -23.629
flat angles P-C4'-P energy: -19.014
tors. eta vs tors. theta energy: -35.219
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: 10
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -304.473152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.473152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.473152 (E_RNA)
where:
Base-Base interactions energy: -192.470
where: short stacking energy: -105.147
Base-Backbone interact. energy: 0.838
local terms energy: -112.840574
where:
bonds (distance) C4'-P energy: -24.946
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -23.752
flat angles P-C4'-P energy: -17.695
tors. eta vs tors. theta energy: -28.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -292.679009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.679009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.679009 (E_RNA)
where:
Base-Base interactions energy: -179.290
where: short stacking energy: -90.594
Base-Backbone interact. energy: -0.166
local terms energy: -113.222497
where:
bonds (distance) C4'-P energy: -18.558
bonds (distance) P-C4' energy: -22.581
flat angles C4'-P-C4' energy: -26.075
flat angles P-C4'-P energy: -19.148
tors. eta vs tors. theta energy: -26.860
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: 7
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -316.251189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.251189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.251189 (E_RNA)
where:
Base-Base interactions energy: -211.685
where: short stacking energy: -93.344
Base-Backbone interact. energy: -0.075
local terms energy: -104.490928
where:
bonds (distance) C4'-P energy: -18.644
bonds (distance) P-C4' energy: -26.047
flat angles C4'-P-C4' energy: -18.567
flat angles P-C4'-P energy: -14.369
tors. eta vs tors. theta energy: -26.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -271.005582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.005582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.005582 (E_RNA)
where:
Base-Base interactions energy: -188.242
where: short stacking energy: -78.257
Base-Backbone interact. energy: -0.428
local terms energy: -82.335401
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -17.529
flat angles P-C4'-P energy: -14.106
tors. eta vs tors. theta energy: -19.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -220.014460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.014460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.014460 (E_RNA)
where:
Base-Base interactions energy: -140.146
where: short stacking energy: -67.355
Base-Backbone interact. energy: -0.661
local terms energy: -79.207103
where:
bonds (distance) C4'-P energy: -20.327
bonds (distance) P-C4' energy: -21.040
flat angles C4'-P-C4' energy: -17.772
flat angles P-C4'-P energy: -10.927
tors. eta vs tors. theta energy: -9.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -260.834412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.834412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.834412 (E_RNA)
where:
Base-Base interactions energy: -175.422
where: short stacking energy: -80.832
Base-Backbone interact. energy: -0.126
local terms energy: -85.287040
where:
bonds (distance) C4'-P energy: -15.276
bonds (distance) P-C4' energy: -22.153
flat angles C4'-P-C4' energy: -20.600
flat angles P-C4'-P energy: -7.881
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: 8, replica: 8
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -240.537514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.537514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.537514 (E_RNA)
where:
Base-Base interactions energy: -150.680
where: short stacking energy: -68.736
Base-Backbone interact. energy: -0.244
local terms energy: -89.613230
where:
bonds (distance) C4'-P energy: -23.403
bonds (distance) P-C4' energy: -21.251
flat angles C4'-P-C4' energy: -23.012
flat angles P-C4'-P energy: -9.350
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: 9, replica: 3
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -190.965556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.965556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.965556 (E_RNA)
where:
Base-Base interactions energy: -119.784
where: short stacking energy: -51.961
Base-Backbone interact. energy: -0.460
local terms energy: -70.721848
where:
bonds (distance) C4'-P energy: -17.925
bonds (distance) P-C4' energy: -15.063
flat angles C4'-P-C4' energy: -16.962
flat angles P-C4'-P energy: -11.585
tors. eta vs tors. theta energy: -9.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -215.334872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.334872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.334872 (E_RNA)
where:
Base-Base interactions energy: -129.215
where: short stacking energy: -68.912
Base-Backbone interact. energy: -0.815
local terms energy: -85.304429
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -23.952
flat angles C4'-P-C4' energy: -21.340
flat angles P-C4'-P energy: -7.839
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: 1, replica: 5
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -369.728483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.728483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.728483 (E_RNA)
where:
Base-Base interactions energy: -246.183
where: short stacking energy: -113.149
Base-Backbone interact. energy: -0.113
local terms energy: -123.432067
where:
bonds (distance) C4'-P energy: -23.957
bonds (distance) P-C4' energy: -20.385
flat angles C4'-P-C4' energy: -28.334
flat angles P-C4'-P energy: -17.754
tors. eta vs tors. theta energy: -33.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -312.702296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.702296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.702296 (E_RNA)
where:
Base-Base interactions energy: -206.772
where: short stacking energy: -86.709
Base-Backbone interact. energy: -0.116
local terms energy: -105.813662
where:
bonds (distance) C4'-P energy: -20.856
bonds (distance) P-C4' energy: -23.968
flat angles C4'-P-C4' energy: -18.462
flat angles P-C4'-P energy: -16.203
tors. eta vs tors. theta energy: -26.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -305.280022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.280022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.280022 (E_RNA)
where:
Base-Base interactions energy: -205.590
where: short stacking energy: -95.140
Base-Backbone interact. energy: 0.271
local terms energy: -99.960701
where:
bonds (distance) C4'-P energy: -18.936
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -21.401
flat angles P-C4'-P energy: -11.909
tors. eta vs tors. theta energy: -23.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -294.080993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.080993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.080993 (E_RNA)
where:
Base-Base interactions energy: -183.224
where: short stacking energy: -98.919
Base-Backbone interact. energy: -0.106
local terms energy: -110.750531
where:
bonds (distance) C4'-P energy: -25.493
bonds (distance) P-C4' energy: -25.078
flat angles C4'-P-C4' energy: -18.327
flat angles P-C4'-P energy: -13.243
tors. eta vs tors. theta energy: -28.611
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: 1
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -284.814263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.814263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.814263 (E_RNA)
where:
Base-Base interactions energy: -178.104
where: short stacking energy: -82.627
Base-Backbone interact. energy: -0.030
local terms energy: -106.680723
where:
bonds (distance) C4'-P energy: -26.192
bonds (distance) P-C4' energy: -25.761
flat angles C4'-P-C4' energy: -17.957
flat angles P-C4'-P energy: -13.168
tors. eta vs tors. theta energy: -23.603
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: 6
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -238.307966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.307966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.307966 (E_RNA)
where:
Base-Base interactions energy: -136.333
where: short stacking energy: -74.173
Base-Backbone interact. energy: -0.360
local terms energy: -101.614441
where:
bonds (distance) C4'-P energy: -17.747
bonds (distance) P-C4' energy: -25.970
flat angles C4'-P-C4' energy: -19.961
flat angles P-C4'-P energy: -18.323
tors. eta vs tors. theta energy: -19.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -248.070524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.070524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.070524 (E_RNA)
where:
Base-Base interactions energy: -159.834
where: short stacking energy: -64.563
Base-Backbone interact. energy: -0.041
local terms energy: -88.194980
where:
bonds (distance) C4'-P energy: -15.645
bonds (distance) P-C4' energy: -19.855
flat angles C4'-P-C4' energy: -24.624
flat angles P-C4'-P energy: -7.059
tors. eta vs tors. theta energy: -21.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -249.233640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.233640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.233640 (E_RNA)
where:
Base-Base interactions energy: -151.658
where: short stacking energy: -62.293
Base-Backbone interact. energy: -0.076
local terms energy: -97.499555
where:
bonds (distance) C4'-P energy: -16.782
bonds (distance) P-C4' energy: -24.631
flat angles C4'-P-C4' energy: -23.032
flat angles P-C4'-P energy: -15.169
tors. eta vs tors. theta energy: -17.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -194.495183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.495183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.495183 (E_RNA)
where:
Base-Base interactions energy: -117.910
where: short stacking energy: -48.288
Base-Backbone interact. energy: -0.484
local terms energy: -76.101567
where:
bonds (distance) C4'-P energy: -23.365
bonds (distance) P-C4' energy: -18.102
flat angles C4'-P-C4' energy: -20.353
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -4.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -201.095924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.095924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.095924 (E_RNA)
where:
Base-Base interactions energy: -119.866
where: short stacking energy: -61.134
Base-Backbone interact. energy: -0.147
local terms energy: -81.082471
where:
bonds (distance) C4'-P energy: -16.746
bonds (distance) P-C4' energy: -25.570
flat angles C4'-P-C4' energy: -17.438
flat angles P-C4'-P energy: -6.559
tors. eta vs tors. theta energy: -14.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -371.826208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.826208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.826208 (E_RNA)
where:
Base-Base interactions energy: -250.526
where: short stacking energy: -104.007
Base-Backbone interact. energy: -0.015
local terms energy: -121.285383
where:
bonds (distance) C4'-P energy: -19.928
bonds (distance) P-C4' energy: -25.934
flat angles C4'-P-C4' energy: -23.587
flat angles P-C4'-P energy: -17.977
tors. eta vs tors. theta energy: -33.859
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: 2, replica: 7
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -320.039918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.039918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.039918 (E_RNA)
where:
Base-Base interactions energy: -212.602
where: short stacking energy: -98.650
Base-Backbone interact. energy: -0.212
local terms energy: -107.225799
where:
bonds (distance) C4'-P energy: -20.570
bonds (distance) P-C4' energy: -22.835
flat angles C4'-P-C4' energy: -26.264
flat angles P-C4'-P energy: -16.106
tors. eta vs tors. theta energy: -21.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -293.496963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.496963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.496963 (E_RNA)
where:
Base-Base interactions energy: -197.996
where: short stacking energy: -90.583
Base-Backbone interact. energy: -0.843
local terms energy: -94.657664
where:
bonds (distance) C4'-P energy: -22.668
bonds (distance) P-C4' energy: -16.926
flat angles C4'-P-C4' energy: -20.369
flat angles P-C4'-P energy: -12.812
tors. eta vs tors. theta energy: -21.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -288.748656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.748656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.748656 (E_RNA)
where:
Base-Base interactions energy: -188.665
where: short stacking energy: -84.149
Base-Backbone interact. energy: -0.109
local terms energy: -99.974704
where:
bonds (distance) C4'-P energy: -24.660
bonds (distance) P-C4' energy: -22.834
flat angles C4'-P-C4' energy: -23.239
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: -18.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -271.296817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.296817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.296817 (E_RNA)
where:
Base-Base interactions energy: -169.641
where: short stacking energy: -82.407
Base-Backbone interact. energy: -0.331
local terms energy: -101.325552
where:
bonds (distance) C4'-P energy: -17.821
bonds (distance) P-C4' energy: -24.201
flat angles C4'-P-C4' energy: -23.068
flat angles P-C4'-P energy: -16.434
tors. eta vs tors. theta energy: -19.802
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: 495
Temperature: 1.150000
Total energy: -262.969695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.969695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.969695 (E_RNA)
where:
Base-Base interactions energy: -160.946
where: short stacking energy: -69.883
Base-Backbone interact. energy: -0.433
local terms energy: -101.590757
where:
bonds (distance) C4'-P energy: -24.253
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -25.046
flat angles P-C4'-P energy: -15.284
tors. eta vs tors. theta energy: -19.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -268.076562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.076562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.076562 (E_RNA)
where:
Base-Base interactions energy: -167.805
where: short stacking energy: -87.048
Base-Backbone interact. energy: -0.041
local terms energy: -100.231228
where:
bonds (distance) C4'-P energy: -20.524
bonds (distance) P-C4' energy: -25.562
flat angles C4'-P-C4' energy: -20.099
flat angles P-C4'-P energy: -12.975
tors. eta vs tors. theta energy: -21.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -226.209121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.209121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.209121 (E_RNA)
where:
Base-Base interactions energy: -144.542
where: short stacking energy: -63.302
Base-Backbone interact. energy: -1.279
local terms energy: -80.387822
where:
bonds (distance) C4'-P energy: -12.063
bonds (distance) P-C4' energy: -26.991
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -15.883
tors. eta vs tors. theta energy: -10.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -246.364953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.364953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.364953 (E_RNA)
where:
Base-Base interactions energy: -158.216
where: short stacking energy: -74.693
Base-Backbone interact. energy: -0.202
local terms energy: -87.946509
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -18.780
flat angles C4'-P-C4' energy: -20.131
flat angles P-C4'-P energy: -16.237
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: 10, replica: 3
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -216.531133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.531133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.531133 (E_RNA)
where:
Base-Base interactions energy: -138.715
where: short stacking energy: -59.870
Base-Backbone interact. energy: -0.089
local terms energy: -77.727083
where:
bonds (distance) C4'-P energy: -19.552
bonds (distance) P-C4' energy: -22.075
flat angles C4'-P-C4' energy: -17.844
flat angles P-C4'-P energy: -11.221
tors. eta vs tors. theta energy: -7.035
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: 1, replica: 5
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -369.105722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.105722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.105722 (E_RNA)
where:
Base-Base interactions energy: -242.369
where: short stacking energy: -109.098
Base-Backbone interact. energy: -0.713
local terms energy: -126.023940
where:
bonds (distance) C4'-P energy: -24.314
bonds (distance) P-C4' energy: -27.210
flat angles C4'-P-C4' energy: -27.964
flat angles P-C4'-P energy: -16.575
tors. eta vs tors. theta energy: -29.962
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: 7
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -324.332931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.332931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.332931 (E_RNA)
where:
Base-Base interactions energy: -211.369
where: short stacking energy: -87.962
Base-Backbone interact. energy: -0.768
local terms energy: -112.195723
where:
bonds (distance) C4'-P energy: -24.465
bonds (distance) P-C4' energy: -25.179
flat angles C4'-P-C4' energy: -21.454
flat angles P-C4'-P energy: -12.562
tors. eta vs tors. theta energy: -28.536
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: 3, replica: 10
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -290.701376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.701376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.701376 (E_RNA)
where:
Base-Base interactions energy: -190.753
where: short stacking energy: -85.874
Base-Backbone interact. energy: -0.228
local terms energy: -99.720701
where:
bonds (distance) C4'-P energy: -17.731
bonds (distance) P-C4' energy: -20.184
flat angles C4'-P-C4' energy: -23.721
flat angles P-C4'-P energy: -15.936
tors. eta vs tors. theta energy: -22.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -296.551064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.551064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.551064 (E_RNA)
where:
Base-Base interactions energy: -192.788
where: short stacking energy: -88.172
Base-Backbone interact. energy: -0.222
local terms energy: -103.540513
where:
bonds (distance) C4'-P energy: -22.062
bonds (distance) P-C4' energy: -20.833
flat angles C4'-P-C4' energy: -25.053
flat angles P-C4'-P energy: -17.583
tors. eta vs tors. theta energy: -18.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -257.961296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.961296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.961296 (E_RNA)
where:
Base-Base interactions energy: -165.023
where: short stacking energy: -73.977
Base-Backbone interact. energy: -0.157
local terms energy: -92.781737
where:
bonds (distance) C4'-P energy: -20.950
bonds (distance) P-C4' energy: -24.379
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -15.774
tors. eta vs tors. theta energy: -17.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -263.445042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.445042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.445042 (E_RNA)
where:
Base-Base interactions energy: -168.644
where: short stacking energy: -71.326
Base-Backbone interact. energy: -1.186
local terms energy: -93.615114
where:
bonds (distance) C4'-P energy: -18.431
bonds (distance) P-C4' energy: -21.442
flat angles C4'-P-C4' energy: -23.391
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: -19.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -255.360418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.360418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.360418 (E_RNA)
where:
Base-Base interactions energy: -162.021
where: short stacking energy: -76.408
Base-Backbone interact. energy: -0.165
local terms energy: -93.174628
where:
bonds (distance) C4'-P energy: -22.421
bonds (distance) P-C4' energy: -24.131
flat angles C4'-P-C4' energy: -21.234
flat angles P-C4'-P energy: -9.638
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: 8, replica: 2
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -242.170146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.170146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.170146 (E_RNA)
where:
Base-Base interactions energy: -152.227
where: short stacking energy: -71.220
Base-Backbone interact. energy: -0.883
local terms energy: -89.060417
where:
bonds (distance) C4'-P energy: -17.722
bonds (distance) P-C4' energy: -23.292
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -16.677
tors. eta vs tors. theta energy: -16.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -215.495886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.495886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.495886 (E_RNA)
where:
Base-Base interactions energy: -132.667
where: short stacking energy: -66.506
Base-Backbone interact. energy: -0.160
local terms energy: -82.669173
where:
bonds (distance) C4'-P energy: -17.876
bonds (distance) P-C4' energy: -24.427
flat angles C4'-P-C4' energy: -16.994
flat angles P-C4'-P energy: -8.155
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: 10, replica: 8
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -224.745747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.745747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.745747 (E_RNA)
where:
Base-Base interactions energy: -140.593
where: short stacking energy: -62.485
Base-Backbone interact. energy: -0.190
local terms energy: -83.962276
where:
bonds (distance) C4'-P energy: -15.387
bonds (distance) P-C4' energy: -18.979
flat angles C4'-P-C4' energy: -17.600
flat angles P-C4'-P energy: -15.663
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: 1, replica: 5
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -366.127556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.127556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.127556 (E_RNA)
where:
Base-Base interactions energy: -248.349
where: short stacking energy: -111.537
Base-Backbone interact. energy: -0.129
local terms energy: -117.650135
where:
bonds (distance) C4'-P energy: -24.051
bonds (distance) P-C4' energy: -25.910
flat angles C4'-P-C4' energy: -19.375
flat angles P-C4'-P energy: -17.186
tors. eta vs tors. theta energy: -31.127
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: 7
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -334.562662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.562662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.562662 (E_RNA)
where:
Base-Base interactions energy: -220.791
where: short stacking energy: -104.540
Base-Backbone interact. energy: 0.236
local terms energy: -114.008060
where:
bonds (distance) C4'-P energy: -22.416
bonds (distance) P-C4' energy: -22.805
flat angles C4'-P-C4' energy: -21.977
flat angles P-C4'-P energy: -19.483
tors. eta vs tors. theta energy: -27.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -292.907762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.907762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.907762 (E_RNA)
where:
Base-Base interactions energy: -191.395
where: short stacking energy: -89.429
Base-Backbone interact. energy: 0.274
local terms energy: -101.787318
where:
bonds (distance) C4'-P energy: -20.302
bonds (distance) P-C4' energy: -22.510
flat angles C4'-P-C4' energy: -22.266
flat angles P-C4'-P energy: -14.332
tors. eta vs tors. theta energy: -22.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -306.464972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.464972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.464972 (E_RNA)
where:
Base-Base interactions energy: -216.400
where: short stacking energy: -86.280
Base-Backbone interact. energy: -0.143
local terms energy: -89.922571
where:
bonds (distance) C4'-P energy: -19.445
bonds (distance) P-C4' energy: -17.430
flat angles C4'-P-C4' energy: -19.919
flat angles P-C4'-P energy: -14.086
tors. eta vs tors. theta energy: -19.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -285.696645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.696645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.696645 (E_RNA)
where:
Base-Base interactions energy: -183.460
where: short stacking energy: -82.815
Base-Backbone interact. energy: -0.005
local terms energy: -102.232084
where:
bonds (distance) C4'-P energy: -20.372
bonds (distance) P-C4' energy: -17.715
flat angles C4'-P-C4' energy: -24.114
flat angles P-C4'-P energy: -15.457
tors. eta vs tors. theta energy: -24.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -268.723268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.723268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.723268 (E_RNA)
where:
Base-Base interactions energy: -162.822
where: short stacking energy: -70.774
Base-Backbone interact. energy: -0.349
local terms energy: -105.552165
where:
bonds (distance) C4'-P energy: -24.081
bonds (distance) P-C4' energy: -23.391
flat angles C4'-P-C4' energy: -23.560
flat angles P-C4'-P energy: -14.788
tors. eta vs tors. theta energy: -19.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -263.063073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.063073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.063073 (E_RNA)
where:
Base-Base interactions energy: -162.550
where: short stacking energy: -79.236
Base-Backbone interact. energy: -0.669
local terms energy: -99.843346
where:
bonds (distance) C4'-P energy: -22.223
bonds (distance) P-C4' energy: -21.131
flat angles C4'-P-C4' energy: -21.176
flat angles P-C4'-P energy: -14.692
tors. eta vs tors. theta energy: -20.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -201.775261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.775261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.775261 (E_RNA)
where:
Base-Base interactions energy: -117.110
where: short stacking energy: -47.268
Base-Backbone interact. energy: -0.388
local terms energy: -84.277545
where:
bonds (distance) C4'-P energy: -23.099
bonds (distance) P-C4' energy: -19.833
flat angles C4'-P-C4' energy: -18.965
flat angles P-C4'-P energy: -14.522
tors. eta vs tors. theta energy: -7.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -238.925366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.925366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.925366 (E_RNA)
where:
Base-Base interactions energy: -146.399
where: short stacking energy: -65.638
Base-Backbone interact. energy: -0.250
local terms energy: -92.276530
where:
bonds (distance) C4'-P energy: -17.717
bonds (distance) P-C4' energy: -21.936
flat angles C4'-P-C4' energy: -19.417
flat angles P-C4'-P energy: -17.094
tors. eta vs tors. theta energy: -16.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -194.919496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.919496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.919496 (E_RNA)
where:
Base-Base interactions energy: -116.547
where: short stacking energy: -54.990
Base-Backbone interact. energy: 1.155
local terms energy: -79.527100
where:
bonds (distance) C4'-P energy: -20.963
bonds (distance) P-C4' energy: -22.310
flat angles C4'-P-C4' energy: -18.774
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: -7.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -372.189655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.189655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.189655 (E_RNA)
where:
Base-Base interactions energy: -250.616
where: short stacking energy: -107.402
Base-Backbone interact. energy: -0.023
local terms energy: -121.550400
where:
bonds (distance) C4'-P energy: -18.053
bonds (distance) P-C4' energy: -26.344
flat angles C4'-P-C4' energy: -24.181
flat angles P-C4'-P energy: -18.536
tors. eta vs tors. theta energy: -34.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -320.001135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.001135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.001135 (E_RNA)
where:
Base-Base interactions energy: -211.037
where: short stacking energy: -97.718
Base-Backbone interact. energy: 0.232
local terms energy: -109.196249
where:
bonds (distance) C4'-P energy: -19.953
bonds (distance) P-C4' energy: -26.661
flat angles C4'-P-C4' energy: -20.206
flat angles P-C4'-P energy: -13.903
tors. eta vs tors. theta energy: -28.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -311.319135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.319135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.319135 (E_RNA)
where:
Base-Base interactions energy: -200.380
where: short stacking energy: -84.995
Base-Backbone interact. energy: -0.990
local terms energy: -109.949104
where:
bonds (distance) C4'-P energy: -20.672
bonds (distance) P-C4' energy: -24.528
flat angles C4'-P-C4' energy: -21.809
flat angles P-C4'-P energy: -17.178
tors. eta vs tors. theta energy: -25.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -301.069069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.069069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.069069 (E_RNA)
where:
Base-Base interactions energy: -193.646
where: short stacking energy: -101.432
Base-Backbone interact. energy: -0.324
local terms energy: -107.098572
where:
bonds (distance) C4'-P energy: -17.436
bonds (distance) P-C4' energy: -26.486
flat angles C4'-P-C4' energy: -23.090
flat angles P-C4'-P energy: -10.618
tors. eta vs tors. theta energy: -29.468
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: 4
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -273.249183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.249183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.249183 (E_RNA)
where:
Base-Base interactions energy: -178.738
where: short stacking energy: -86.674
Base-Backbone interact. energy: -0.264
local terms energy: -94.247449
where:
bonds (distance) C4'-P energy: -18.459
bonds (distance) P-C4' energy: -22.476
flat angles C4'-P-C4' energy: -21.353
flat angles P-C4'-P energy: -13.260
tors. eta vs tors. theta energy: -18.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -263.615542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.615542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.615542 (E_RNA)
where:
Base-Base interactions energy: -166.373
where: short stacking energy: -75.686
Base-Backbone interact. energy: -0.046
local terms energy: -97.196148
where:
bonds (distance) C4'-P energy: -17.479
bonds (distance) P-C4' energy: -18.714
flat angles C4'-P-C4' energy: -26.245
flat angles P-C4'-P energy: -17.474
tors. eta vs tors. theta energy: -17.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -267.161522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.161522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.161522 (E_RNA)
where:
Base-Base interactions energy: -172.287
where: short stacking energy: -79.606
Base-Backbone interact. energy: -0.017
local terms energy: -94.857909
where:
bonds (distance) C4'-P energy: -19.278
bonds (distance) P-C4' energy: -24.567
flat angles C4'-P-C4' energy: -12.525
flat angles P-C4'-P energy: -16.267
tors. eta vs tors. theta energy: -22.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -206.481762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.481762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.481762 (E_RNA)
where:
Base-Base interactions energy: -128.090
where: short stacking energy: -68.531
Base-Backbone interact. energy: -0.326
local terms energy: -78.066200
where:
bonds (distance) C4'-P energy: -17.752
bonds (distance) P-C4' energy: -20.471
flat angles C4'-P-C4' energy: -16.675
flat angles P-C4'-P energy: -12.706
tors. eta vs tors. theta energy: -10.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -225.353735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.353735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.353735 (E_RNA)
where:
Base-Base interactions energy: -141.087
where: short stacking energy: -72.338
Base-Backbone interact. energy: -0.213
local terms energy: -84.053097
where:
bonds (distance) C4'-P energy: -13.173
bonds (distance) P-C4' energy: -20.693
flat angles C4'-P-C4' energy: -20.993
flat angles P-C4'-P energy: -13.138
tors. eta vs tors. theta energy: -16.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -199.204655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.204655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.204655 (E_RNA)
where:
Base-Base interactions energy: -122.964
where: short stacking energy: -47.717
Base-Backbone interact. energy: -1.314
local terms energy: -74.926214
where:
bonds (distance) C4'-P energy: -16.843
bonds (distance) P-C4' energy: -20.697
flat angles C4'-P-C4' energy: -17.973
flat angles P-C4'-P energy: -10.157
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: 1, replica: 5
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -367.481404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.481404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.481404 (E_RNA)
where:
Base-Base interactions energy: -245.562
where: short stacking energy: -110.722
Base-Backbone interact. energy: -0.130
local terms energy: -121.789178
where:
bonds (distance) C4'-P energy: -20.228
bonds (distance) P-C4' energy: -26.909
flat angles C4'-P-C4' energy: -21.068
flat angles P-C4'-P energy: -16.080
tors. eta vs tors. theta energy: -37.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -330.608341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.608341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.608341 (E_RNA)
where:
Base-Base interactions energy: -219.118
where: short stacking energy: -94.039
Base-Backbone interact. energy: -0.050
local terms energy: -111.440405
where:
bonds (distance) C4'-P energy: -21.234
bonds (distance) P-C4' energy: -23.360
flat angles C4'-P-C4' energy: -24.892
flat angles P-C4'-P energy: -15.931
tors. eta vs tors. theta energy: -26.023
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: 7
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -321.035437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.035437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.035437 (E_RNA)
where:
Base-Base interactions energy: -216.160
where: short stacking energy: -92.408
Base-Backbone interact. energy: -0.460
local terms energy: -104.415151
where:
bonds (distance) C4'-P energy: -20.903
bonds (distance) P-C4' energy: -19.372
flat angles C4'-P-C4' energy: -26.199
flat angles P-C4'-P energy: -16.286
tors. eta vs tors. theta energy: -21.655
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: 10
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -304.421121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.421121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.421121 (E_RNA)
where:
Base-Base interactions energy: -199.415
where: short stacking energy: -92.627
Base-Backbone interact. energy: -2.805
local terms energy: -102.201316
where:
bonds (distance) C4'-P energy: -20.446
bonds (distance) P-C4' energy: -22.316
flat angles C4'-P-C4' energy: -19.920
flat angles P-C4'-P energy: -16.387
tors. eta vs tors. theta energy: -23.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -283.596537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.596537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.596537 (E_RNA)
where:
Base-Base interactions energy: -191.074
where: short stacking energy: -78.464
Base-Backbone interact. energy: -0.213
local terms energy: -92.309783
where:
bonds (distance) C4'-P energy: -20.647
bonds (distance) P-C4' energy: -19.103
flat angles C4'-P-C4' energy: -22.713
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: -21.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -265.801783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.801783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.801783 (E_RNA)
where:
Base-Base interactions energy: -168.908
where: short stacking energy: -77.377
Base-Backbone interact. energy: -0.056
local terms energy: -96.837861
where:
bonds (distance) C4'-P energy: -20.541
bonds (distance) P-C4' energy: -27.295
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -14.336
tors. eta vs tors. theta energy: -18.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -254.229575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.229575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.229575 (E_RNA)
where:
Base-Base interactions energy: -162.756
where: short stacking energy: -69.625
Base-Backbone interact. energy: -0.383
local terms energy: -91.090657
where:
bonds (distance) C4'-P energy: -21.854
bonds (distance) P-C4' energy: -22.067
flat angles C4'-P-C4' energy: -18.514
flat angles P-C4'-P energy: -14.837
tors. eta vs tors. theta energy: -13.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -236.495682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.495682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.495682 (E_RNA)
where:
Base-Base interactions energy: -153.866
where: short stacking energy: -65.549
Base-Backbone interact. energy: -0.203
local terms energy: -82.426687
where:
bonds (distance) C4'-P energy: -19.987
bonds (distance) P-C4' energy: -19.837
flat angles C4'-P-C4' energy: -18.050
flat angles P-C4'-P energy: -11.267
tors. eta vs tors. theta energy: -13.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -198.879609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.879609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.879609 (E_RNA)
where:
Base-Base interactions energy: -114.408
where: short stacking energy: -50.769
Base-Backbone interact. energy: -0.287
local terms energy: -84.183953
where:
bonds (distance) C4'-P energy: -20.019
bonds (distance) P-C4' energy: -22.998
flat angles C4'-P-C4' energy: -18.325
flat angles P-C4'-P energy: -11.256
tors. eta vs tors. theta energy: -11.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -201.811080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.811080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.811080 (E_RNA)
where:
Base-Base interactions energy: -124.080
where: short stacking energy: -57.122
Base-Backbone interact. energy: 1.743
local terms energy: -79.474457
where:
bonds (distance) C4'-P energy: -20.735
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -17.043
flat angles P-C4'-P energy: -14.975
tors. eta vs tors. theta energy: -9.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -364.616244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.616244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.616244 (E_RNA)
where:
Base-Base interactions energy: -234.547
where: short stacking energy: -110.158
Base-Backbone interact. energy: -0.794
local terms energy: -129.275493
where:
bonds (distance) C4'-P energy: -25.316
bonds (distance) P-C4' energy: -24.937
flat angles C4'-P-C4' energy: -24.675
flat angles P-C4'-P energy: -17.363
tors. eta vs tors. theta energy: -36.985
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: 1
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -339.646803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.646803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.646803 (E_RNA)
where:
Base-Base interactions energy: -239.401
where: short stacking energy: -92.445
Base-Backbone interact. energy: 0.843
local terms energy: -101.088131
where:
bonds (distance) C4'-P energy: -23.834
bonds (distance) P-C4' energy: -19.205
flat angles C4'-P-C4' energy: -19.620
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: -28.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -315.029786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.029786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.029786 (E_RNA)
where:
Base-Base interactions energy: -212.288
where: short stacking energy: -96.001
Base-Backbone interact. energy: -0.325
local terms energy: -102.416805
where:
bonds (distance) C4'-P energy: -19.578
bonds (distance) P-C4' energy: -20.755
flat angles C4'-P-C4' energy: -19.202
flat angles P-C4'-P energy: -15.454
tors. eta vs tors. theta energy: -27.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -298.427237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.427237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.427237 (E_RNA)
where:
Base-Base interactions energy: -204.979
where: short stacking energy: -91.739
Base-Backbone interact. energy: -0.071
local terms energy: -93.377024
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -22.298
flat angles C4'-P-C4' energy: -18.059
flat angles P-C4'-P energy: -12.702
tors. eta vs tors. theta energy: -23.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -274.918886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.918886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.918886 (E_RNA)
where:
Base-Base interactions energy: -165.967
where: short stacking energy: -86.033
Base-Backbone interact. energy: -0.009
local terms energy: -108.943241
where:
bonds (distance) C4'-P energy: -23.307
bonds (distance) P-C4' energy: -23.229
flat angles C4'-P-C4' energy: -21.124
flat angles P-C4'-P energy: -17.753
tors. eta vs tors. theta energy: -23.529
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: 6, replica: 4
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -282.543030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.543030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.543030 (E_RNA)
where:
Base-Base interactions energy: -177.101
where: short stacking energy: -76.712
Base-Backbone interact. energy: -0.264
local terms energy: -105.177428
where:
bonds (distance) C4'-P energy: -25.786
bonds (distance) P-C4' energy: -22.746
flat angles C4'-P-C4' energy: -20.289
flat angles P-C4'-P energy: -12.617
tors. eta vs tors. theta energy: -23.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -259.549070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.549070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.549070 (E_RNA)
where:
Base-Base interactions energy: -163.384
where: short stacking energy: -79.264
Base-Backbone interact. energy: -0.015
local terms energy: -96.150283
where:
bonds (distance) C4'-P energy: -19.560
bonds (distance) P-C4' energy: -20.150
flat angles C4'-P-C4' energy: -18.693
flat angles P-C4'-P energy: -17.352
tors. eta vs tors. theta energy: -20.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -228.069239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.069239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.069239 (E_RNA)
where:
Base-Base interactions energy: -137.049
where: short stacking energy: -61.260
Base-Backbone interact. energy: -0.820
local terms energy: -90.199744
where:
bonds (distance) C4'-P energy: -24.068
bonds (distance) P-C4' energy: -18.528
flat angles C4'-P-C4' energy: -17.941
flat angles P-C4'-P energy: -16.427
tors. eta vs tors. theta energy: -13.235
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: 8
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -214.097038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.097038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.097038 (E_RNA)
where:
Base-Base interactions energy: -138.889
where: short stacking energy: -69.939
Base-Backbone interact. energy: -0.200
local terms energy: -75.007906
where:
bonds (distance) C4'-P energy: -17.590
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -22.324
flat angles P-C4'-P energy: -6.863
tors. eta vs tors. theta energy: -13.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -166.146367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.146367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.146367 (E_RNA)
where:
Base-Base interactions energy: -87.677
where: short stacking energy: -40.628
Base-Backbone interact. energy: -0.422
local terms energy: -78.047766
where:
bonds (distance) C4'-P energy: -19.986
bonds (distance) P-C4' energy: -22.587
flat angles C4'-P-C4' energy: -22.192
flat angles P-C4'-P energy: -13.335
tors. eta vs tors. theta energy: 0.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -376.136730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.136730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.136730 (E_RNA)
where:
Base-Base interactions energy: -261.582
where: short stacking energy: -113.730
Base-Backbone interact. energy: -0.137
local terms energy: -114.417211
where:
bonds (distance) C4'-P energy: -20.433
bonds (distance) P-C4' energy: -23.546
flat angles C4'-P-C4' energy: -24.650
flat angles P-C4'-P energy: -11.503
tors. eta vs tors. theta energy: -34.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -341.261162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.261162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.261162 (E_RNA)
where:
Base-Base interactions energy: -237.228
where: short stacking energy: -108.711
Base-Backbone interact. energy: -0.313
local terms energy: -103.719765
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -22.860
flat angles C4'-P-C4' energy: -23.886
flat angles P-C4'-P energy: -12.000
tors. eta vs tors. theta energy: -29.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -318.467348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.467348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.467348 (E_RNA)
where:
Base-Base interactions energy: -211.363
where: short stacking energy: -102.839
Base-Backbone interact. energy: -0.220
local terms energy: -106.884397
where:
bonds (distance) C4'-P energy: -18.094
bonds (distance) P-C4' energy: -24.618
flat angles C4'-P-C4' energy: -19.743
flat angles P-C4'-P energy: -16.596
tors. eta vs tors. theta energy: -27.833
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: 6
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -281.270047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.270047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.270047 (E_RNA)
where:
Base-Base interactions energy: -178.060
where: short stacking energy: -81.714
Base-Backbone interact. energy: 0.349
local terms energy: -103.559020
where:
bonds (distance) C4'-P energy: -22.610
bonds (distance) P-C4' energy: -24.065
flat angles C4'-P-C4' energy: -22.181
flat angles P-C4'-P energy: -15.432
tors. eta vs tors. theta energy: -19.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -285.136168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.136168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.136168 (E_RNA)
where:
Base-Base interactions energy: -190.896
where: short stacking energy: -81.084
Base-Backbone interact. energy: -0.245
local terms energy: -93.995099
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -25.242
flat angles C4'-P-C4' energy: -18.704
flat angles P-C4'-P energy: -12.423
tors. eta vs tors. theta energy: -21.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -277.605241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.605241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.605241 (E_RNA)
where:
Base-Base interactions energy: -181.358
where: short stacking energy: -79.202
Base-Backbone interact. energy: -0.060
local terms energy: -96.186960
where:
bonds (distance) C4'-P energy: -13.113
bonds (distance) P-C4' energy: -20.921
flat angles C4'-P-C4' energy: -19.892
flat angles P-C4'-P energy: -15.694
tors. eta vs tors. theta energy: -26.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -244.718086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.718086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.718086 (E_RNA)
where:
Base-Base interactions energy: -155.637
where: short stacking energy: -63.414
Base-Backbone interact. energy: -0.135
local terms energy: -88.946134
where:
bonds (distance) C4'-P energy: -20.716
bonds (distance) P-C4' energy: -19.819
flat angles C4'-P-C4' energy: -17.075
flat angles P-C4'-P energy: -14.357
tors. eta vs tors. theta energy: -16.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -238.240132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.240132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.240132 (E_RNA)
where:
Base-Base interactions energy: -158.589
where: short stacking energy: -73.827
Base-Backbone interact. energy: -0.267
local terms energy: -79.383678
where:
bonds (distance) C4'-P energy: -20.663
bonds (distance) P-C4' energy: -21.544
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -8.111
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: 9, replica: 9
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -202.063540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.063540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.063540 (E_RNA)
where:
Base-Base interactions energy: -123.121
where: short stacking energy: -60.742
Base-Backbone interact. energy: 3.365
local terms energy: -82.307303
where:
bonds (distance) C4'-P energy: -23.188
bonds (distance) P-C4' energy: -19.166
flat angles C4'-P-C4' energy: -19.175
flat angles P-C4'-P energy: -10.863
tors. eta vs tors. theta energy: -9.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -190.746838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.746838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.746838 (E_RNA)
where:
Base-Base interactions energy: -115.461
where: short stacking energy: -54.440
Base-Backbone interact. energy: 0.077
local terms energy: -75.363015
where:
bonds (distance) C4'-P energy: -20.617
bonds (distance) P-C4' energy: -19.325
flat angles C4'-P-C4' energy: -15.038
flat angles P-C4'-P energy: -14.178
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)
replica 5 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 14816167
moves confirmed later: 15857073
all moves confirmed: 30673240
percent of confirmed moves: 3.834155
current total energy: -329.584206
recalc. total energy: -329.584206
replica 1 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 26270305
moves confirmed later: 30714588
all moves confirmed: 56984893
percent of confirmed moves: 7.123112
current total energy: -291.397743
recalc. total energy: -291.397743
replica 6 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 28738404
moves confirmed later: 34076820
all moves confirmed: 62815224
percent of confirmed moves: 7.851903
current total energy: -239.242860
recalc. total energy: -239.242860
replica 7 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 25764923
moves confirmed later: 30155658
all moves confirmed: 55920581
percent of confirmed moves: 6.990073
current total energy: -266.096769
recalc. total energy: -266.096769
replica 3 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 26516459
moves confirmed later: 31097325
all moves confirmed: 57613784
percent of confirmed moves: 7.201723
current total energy: -178.561724
recalc. total energy: -178.561724
replica 10 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 26641667
moves confirmed later: 31345282
all moves confirmed: 57986949
percent of confirmed moves: 7.248369
current total energy: -228.939627
recalc. total energy: -228.939627
replica 4 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 20722243
moves confirmed later: 23310684
all moves confirmed: 44032927
percent of confirmed moves: 5.504116
current total energy: -162.231614
recalc. total energy: -162.231614
replica 8 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 26485105
moves confirmed later: 31095937
all moves confirmed: 57581042
percent of confirmed moves: 7.197630
current total energy: -148.091414
recalc. total energy: -148.091414
replica 2 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 34155037
moves confirmed later: 41161576
all moves confirmed: 75316613
percent of confirmed moves: 9.414577
current total energy: -178.293341
recalc. total energy: -178.293341
replica 9 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 26958560
moves confirmed later: 31748918
all moves confirmed: 58707478
percent of confirmed moves: 7.338435
current total energy: -151.993139
recalc. total energy: -151.993139
out arg RESULTS//1/aptamer_test1-ef83ea93_01
Time of doing 8000000 iterations: 3967.916 seconds